Basic information
- Standard SMILES
COC(=O)C1CCCCN1C(=O)C(=O)c1cccs1- InChIKey
OTJHFKVKXAVJIZ-UHFFFAOYSA-N- Molecular formula
- C13H15NO4S
- Average molar mass
- 281.33 g/mol
Names & identifiers
- Preferred name
- Methyl 1-[1,2-Dioxo-2-(thien-2-yl)ethyl)-2-piperidinecarboxylate
- IUPAC
- methyl 1-(2-oxo-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
Names & synonyms
SCHEMBL5902094OTJHFKVKXAVJIZ-UHFFFAOYSA-NMethyl 1-[1,2-Dioxo-2-(thien-2-yl)ethyl)-2-piperidinecarboxylate
Database identifiers
- PubChem CID
- 21992934
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
2 records
Compound notes
Loading…