Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)Sc2ccccc2)CC1- InChIKey
YXPMGDDQGHUXGZ-UHFFFAOYSA-N- Molecular formula
- C17H23NO3S
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 4-Phenylsulfanylcarbonyl-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-phenylsulfanylcarbonylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL14603861YXPMGDDQGHUXGZ-UHFFFAOYSA-N4-phenylsulfanylcarbonyl-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 89375800
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
7 records
Compound notes
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