(2S)-2-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
Basic information
- CAS
3197-43-1- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1- InChIKey
KBTVSWYPEPWISA-LBPRGKRZSA-N- Molecular formula
- C13H19NO2S
- Average molar mass
- 253.36 g/mol
- Monoisotopic mass
- 253.11365002
Names & identifiers
- Preferred name
- (2S)-2-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
- IUPAC
- (2S)-2-methyl-1-(4-methylphenyl)sulfonylpiperidine
Names & synonyms
(2S)-2-Methyl-1-[(4-methylphenyl)sulfonyl]piperidineDTXSID8012186163197-43-12-methyl-1-(4-methylbenzene-1-sulfonyl)piperidine(2S)-2-Methyl-1-(4-methylbenzene-1-sulfonyl)piperidine
Database identifiers
- CAS
3197-43-1- PubChem CID
- 679506
- DTXSID
DTXSID801218616
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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