Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis-
Basic information
- CAS
123994-01-4- Standard SMILES
CCCCCCC[C@H]1CC[C@@H](CCCC)N1S(=O)(=O)c1ccc(C)cc1- InChIKey
YQHCNOZPXMUGOX-RTWAWAEBSA-N- Molecular formula
- C22H37NO2S
- Average molar mass
- 379.6 g/mol
- Monoisotopic mass
- 379.2545006
Names & identifiers
- Preferred name
- Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis-
- IUPAC
- (2R,5S)-2-butyl-5-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine
Names & synonyms
123994-01-4Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis-DTXSID809246542-Butyl-5-heptyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine(2R,5S)-2-Butyl-5-heptyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
Database identifiers
- CAS
123994-01-4- PubChem CID
- 180218
- DTXSID
DTXSID80924654- Nikkaji
- J2.975.122F
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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