Basic information
- Standard SMILES
CNC(=S)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1- InChIKey
FKBWPATWRRKPME-LBPRGKRZSA-N- Molecular formula
- C13H17FN2O2S2
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- N2-methyl-(2S)-1-[(4-fluorophenyl)sulfonyl]-2-piperidinecarbothioamide
- IUPAC
- (2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carbothioamide
Names & synonyms
SCHEMBL6969949FKBWPATWRRKPME-LBPRGKRZSA-NN2-methyl-(2S)-1-[(4-fluorophenyl)sulfonyl]-2-piperidinecarbothioamide
Database identifiers
- PubChem CID
- 57230524
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Related reactions
1 records
Compound notes
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