Basic information
- Standard SMILES
CN1CCC(COC(=O)C(=O)c2cccs2)CC1- InChIKey
NUSNJYQTIZQCOA-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
Names & identifiers
- Preferred name
- Oxo-thiophen-2-yl-acetic acid 1-methyl-piperidin-4-ylmethyl ester
- IUPAC
- (1-methylpiperidin-4-yl)methyl 2-oxo-2-thiophen-2-ylacetate
Names & synonyms
SCHEMBL1877295NUSNJYQTIZQCOA-UHFFFAOYSA-NOxo-thiophen-2-yl-acetic acid 1-methyl-piperidin-4-ylmethyl ester
Database identifiers
- PubChem CID
- 67197151
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
4 records
Compound notes
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