Basic information
- Standard SMILES
CC1(C)OC(=O)C(C(=O)N2CCCCC2)=C1c1ccc(S(C)(=O)=O)cc1- InChIKey
HQPWJTVGSDAYAA-UHFFFAOYSA-N- Molecular formula
- C19H23NO5S
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- 5,5-Dimethyl-4-(4-(methylsulfonyl)phenyl)-3-(piperidine-1-carbonyl)-5H-furan-2-one
- IUPAC
- 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(piperidine-1-carbonyl)furan-2-one
Names & synonyms
SCHEMBL7493022HQPWJTVGSDAYAA-UHFFFAOYSA-N5,5-Dimethyl-4-(4-(methylsulfonyl)phenyl)-3-(piperidine-1-carbonyl)-5H-furan-2-one
Database identifiers
- PubChem CID
- 21948488
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 718
Related reactions
6 records
Compound notes
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