Butyrophenone, 4'-methylsulfonyl-4-(1-pyrrolidinyl)-
Basic information
- CAS
59921-86-7- Standard SMILES
CS(=O)(=O)c1ccc(C(=O)CCCN2CCCC2)cc1- InChIKey
NRYWPJPZCSFBDL-UHFFFAOYSA-N- Molecular formula
- C15H21NO3S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.12421471
Names & identifiers
- Preferred name
- Butyrophenone, 4'-methylsulfonyl-4-(1-pyrrolidinyl)-
- IUPAC
- 1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylbutan-1-one
Names & synonyms
4'-Methylsulfonyl-4-(1-pyrrolidinyl)butyrophenoneBUTYROPHENONE, 4'-METHYLSULFONYL-4-(1-PYRROLIDINYL)-RefChem:33143959921-86-7DTXSID209753471-[4-(Methanesulfonyl)phenyl]-4-(pyrrolidin-1-yl)butan-1-one
Database identifiers
- CAS
59921-86-7- PubChem CID
- 43134
- DTXSID
DTXSID20975347- Nikkaji
- J67.482F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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