Basic information
- Standard SMILES
CS(=O)(=O)c1cccc(C(=O)N2CCC(=O)CC2)c1- InChIKey
WVQRRYNPCSNDNW-UHFFFAOYSA-N- Molecular formula
- C13H15NO4S
- Average molar mass
- 281.33 g/mol
Names & identifiers
- Preferred name
- 1-(3-Methanesulfonyl-benzoyl)-piperidin-4-one
- IUPAC
- 1-(3-methylsulfonylbenzoyl)piperidin-4-one
Names & synonyms
SCHEMBL5400975WVQRRYNPCSNDNW-UHFFFAOYSA-NAKOS0001947331-(3-Methanesulfonyl-benzoyl)-piperidin-4-one1 -(3-Methanesulfonyl-benzoyl)-piperidin-4-one
Database identifiers
- PubChem CID
- 22397490
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 456
Related reactions
5 records
Compound notes
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