Basic information
- CAS
25858-24-6- Standard SMILES
Cc1ccc(S(=O)(=O)N2CC[C@](C#N)(c3ccccc3)[C@H](C)C2)cc1- InChIKey
XFZXKHZEHPBOOY-YLJYHZDGSA-N- Molecular formula
- C20H22N2O2S
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.14019912
Names & identifiers
- Preferred name
- (3S,4R)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile
- IUPAC
- (3S,4R)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile
Database identifiers
- CAS
25858-24-6- PubChem CID
- 93482995
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…