Basic information
- CAS
77422-82-3- Standard SMILES
NC1(C(=O)NCSc2ccccc2)CC=CCC1- InChIKey
CRKBZXVKURANSV-UHFFFAOYSA-N- Molecular formula
- C14H18N2OS
- Average molar mass
- 262.37 g/mol
- Monoisotopic mass
- 262.11398438
Names & identifiers
- Preferred name
- 1-Amino-N-[(phenylsulfanyl)methyl]cyclohex-3-ene-1-carboxamide
- IUPAC
- 1-amino-N-(phenylsulfanylmethyl)cyclohex-3-ene-1-carboxamide
Names & synonyms
77422-82-3NSC365338DTXSID203208381-amino-N-(phenylsulfanylmethyl)cyclohex-3-ene-1-carboxamide1-Amino-N-[(phenylsulfanyl)methyl]cyclohex-3-ene-1-carboxamideNSC-365338DS-0085881-amino-N-[(phenylsulfanyl)methyl]-3-cyclohexene-1-carboxamide
Database identifiers
- CAS
77422-82-3- PubChem CID
- 339285
- DTXSID
DTXSID20320838
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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