Basic information
- CAS
64330-48-9- Standard SMILES
O=C1C(S(=O)c2ccccc2)CCN1C1CCCCC1- InChIKey
OFMQQJQVACKZNO-UHFFFAOYSA-N- Molecular formula
- C16H21NO2S
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.12930009
Names & identifiers
- Preferred name
- 3-(Benzenesulfinyl)-1-cyclohexylpyrrolidin-2-one
- IUPAC
- 3-(benzenesulfinyl)-1-cyclohexylpyrrolidin-2-one
Names & synonyms
3-(Benzenesulfinyl)-1-cyclohexylpyrrolidin-2-one64330-48-9DTXSID40794815
Database identifiers
- CAS
64330-48-9- PubChem CID
- 71371908
- DTXSID
DTXSID40794815
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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