1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
Basic information
- CAS
111711-72-9- Standard SMILES
CCOC1CCC(=O)N1S(=O)(=O)c1c(C)cccc1C- InChIKey
YOIRETUUUKEDKC-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Names & identifiers
- Preferred name
- 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
- IUPAC
- 1-(2,6-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Names & synonyms
111711-72-9DTXSID809122781-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-oneRefChem:1053859DTXCID501341301BRN 47574701-((2,6-Dimethylphenyl)sulfonyl)-5-ethoxy-2-pyrrolidinone2-Pyrrolidinone, 1-((2,6-dimethylphenyl)sulfonyl)-5-ethoxy-
Database identifiers
- CAS
111711-72-9- PubChem CID
- 3086705
- DTXSID
DTXSID80912278- Nikkaji
- J423.487A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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