Basic information
- Standard SMILES
CC(=O)CSC1CCN(C)CC1- InChIKey
WDKFWNIJDLKFDA-UHFFFAOYSA-N- Molecular formula
- C9H17NOS
- Average molar mass
- 187.3 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-4-[(2-oxopropyl)thio]piperidine
- IUPAC
- 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one
Names & synonyms
SCHEMBL9030346WDKFWNIJDLKFDA-UHFFFAOYSA-N1-methyl-4-[(2-oxopropyl)thio]piperidine1-methyl-4-[(2-oxopropyl)thio]-piperidine
Database identifiers
- PubChem CID
- 19936627
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Related reactions
2 records
Compound notes
Loading…