Basic information
- Standard SMILES
CCOC(=O)CN1CCC(C(=O)Sc2ccccc2)CC1- InChIKey
NHBZEUJRQZTJGO-UHFFFAOYSA-N- Molecular formula
- C16H21NO3S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.12421471
Names & identifiers
- Preferred name
- (4-Phenylsulfanylcarbonyl-piperidin-1-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(4-phenylsulfanylcarbonylpiperidin-1-yl)acetate
Names & synonyms
SCHEMBL14636992NHBZEUJRQZTJGO-UHFFFAOYSA-N(4-phenylsulfanylcarbonyl-piperidin-1-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 89389237
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Related reactions
1 records
Compound notes
Loading…