Metabolite Sulfamate
- Name
- Sulfamate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 9NFU33906Q
- CAS number
- Not Available
- Weight
- Average: 97.094
Monoisotopic: 96.983363657 - Chemical Formula
- H3NO3S
- InChI Key
- IIACRCGMVDHOTQ-UHFFFAOYSA-N
- InChI
- InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
- IUPAC Name
- sulfamic acid
- SMILES
- NS(O)(=O)=O
- Reactions
- Trovafloxacin Sulfamate
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 104.2268659 predictedDarkChem Lite v0.1.0 [M-H]- 122.70497 predictedDeepCCS 1.0 (2019) [M+H]+ 104.1172659 predictedDarkChem Lite v0.1.0 [M+H]+ 125.50244 predictedDeepCCS 1.0 (2019) [M+Na]+ 103.7229659 predictedDarkChem Lite v0.1.0 [M+Na]+ 133.70142 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0034830
- ChemSpider
- 5767
- BindingDB
- 26994
- ChEBI
- 9330
- ChEMBL
- CHEMBL68253
- ZINC
- ZINC000238809066
- Wikipedia
- Sulfamic_acid
- Predicted Properties
Property Value Source logP -1.4 Chemaxon pKa (Strongest Acidic) -1.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.39 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 15.31 m3·mol-1 Chemaxon Polarizability 6.97 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon