Basic information
- CAS
7540-60-5- Standard SMILES
O=S(=O)([O-])NC1CCCCC1- InChIKey
HCAJEUSONLESMK-UHFFFAOYSA-M- Molecular formula
- C6H12NO3S-
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.05433782
Overview
Cyclohexylsulfamate is an organic sulfamate oxoanion that is the conjugate base of cyclohexylsulfamic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a cyclohexylsulfamic acid.
Names & identifiers
- Preferred name
- Cyclohexylsulfamate
- IUPAC
- N-cyclohexylsulfamate
Names & synonyms
CyclohexylsulfamateN-cyclohexylsulfamateCHEBI:82431E952N-cyclohexylsulphamateCHEBI:57592DTXSID90880959HCAJEUSONLESMK-UHFFFAOYSA-MBDBM505006837540-60-5AB01563196_01Q27124801
Database identifiers
- CAS
7540-60-5- PubChem CID
- 3372845
- DTXSID
DTXSID90880959- ChEBI
CHEBI:57592- Nikkaji
- J1.104.355K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 187
Related reactions
3 records
Compound notes
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