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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:45:32 UTC
Update Date2019-07-23 06:17:01 UTC
HMDB IDHMDB0034830
Secondary Accession Numbers
  • HMDB34830
Metabolite Identification
Common NameAmidosulfonic acid
DescriptionAmidosulfonic acid, also known as sulfamic acid or sulfamidate, belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. Amidosulfonic acid is an extremely strong acidic compound (based on its pKa). Amidosulfonic acid is a bland and fatty tasting compound. It is often a component of household descaling agents, for example, Lime-A-Way Thick Gel contains up to 8% sulfamic acid and has pH 2.0–2.2, or detergents used for removal of limescale. The compound is well described by the formula H3NSO3, not the tautomer H2NSO2(OH). Acid–base reactions Sulfamic acid is a moderately strong acid, Ka 0.101 (pKa 0.995).
Structure
Data?1563862621
Synonyms
ValueSource
[S(NH2)O2(OH)]ChEBI
AmidoschwefelsaeureChEBI
Amidosulfuric acidChEBI
Aminosulfonic acidChEBI
Imidosulfonic acidChEBI
Sulfamidic acidChEBI
SulfamidsaeureChEBI
Sulfaminic acidChEBI
Sulphamic acidChEBI
Sulphamidic acidChEBI
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SulfaminateGenerator
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7773-06-0 (mono-Ammonium salt)HMDB
AmidohydroxidodioxidosulfurHMDB
Aminosulfuric acidHMDB
JumboHMDB
Sulfamic acid, acsHMDB
Sulfamic acid, reagHMDB
Sulfuramidic acidHMDB
Sulfamic acid, monopotassium saltHMDB
Sulfamic acid, nickel (+2) salt (2:1)HMDB
Sulfamic acid, tin (+2) saltHMDB
Sulfamic acid, zinc (2:1) saltHMDB
AmmateHMDB
Sulfamic acid, magnesium salt (2:1)HMDB
Sulfamic acid, monoammonium saltHMDB
Ammonium sulfamateHMDB
Sulfamic acid, indium (+3) saltHMDB
Amidosulfonic acidMeSH
Chemical FormulaH3NO3S
Average Molecular Weight97.094
Monoisotopic Molecular Weight96.983363657
IUPAC Namesulfamic acid
Traditional Namesulfonic acids
CAS Registry Number5329-14-6
SMILES
NS(O)(=O)=O
InChI Identifier
InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
InChI KeyIIACRCGMVDHOTQ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Sulfuric acid monoamide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point205 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility147 mg/mL at 0 °CNot Available
LogP0.10Not Available
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)-1.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.39 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity15.31 m³·mol⁻¹ChemAxon
Polarizability6.97 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-b80de3cb8454bb1abeb5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-efeb3d84c84231391b2fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-040d54c18f68ee2f3646Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-ff40a709e1e93f1f4c0cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-89cae7eef527dd2813beSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-2741d39506877b30d906Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-3f3ec45c890281a9c57cSpectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013393
KNApSAcK IDNot Available
Chemspider ID5767
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSulfamic_acid
METLIN IDNot Available
PubChem Compound5987
PDB IDNot Available
ChEBI ID9330
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB ID
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .