2-Pyrrolidinone, 5-ethoxy-1-(2-thienylsulfonyl)-
Basic information
- CAS
111711-68-3- Standard SMILES
CCOC1CCC(=O)N1S(=O)(=O)c1cccs1- InChIKey
LQMJHVVIPNWTCJ-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.02860024
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 5-ethoxy-1-(2-thienylsulfonyl)-
- IUPAC
- 5-ethoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-one
Names & synonyms
111711-68-32-Pyrrolidinone, 5-ethoxy-1-(2-thienylsulfonyl)-RefChem:1064792BRN 47533045-Ethoxy-1-(2-thienylsulfonyl)-2-pyrrolidinoneSCHEMBL96699535-ETHOXY-1-(THIOPHENE-2-SULFONYL)PYRROLIDIN-2-ONEDTXSID40912274
Database identifiers
- CAS
111711-68-3- PubChem CID
- 3086701
- DTXSID
DTXSID40912274- Nikkaji
- J423.496K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 390
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Compound notes
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