1-(4-Methanesulfonylnaphthalen-1-yl)pyrrolidine
Basic information
- CAS
870889-01-3- Standard SMILES
CS(=O)(=O)c1ccc(N2CCCC2)c2ccccc12- InChIKey
GZPPMQQVXNAHOJ-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- 1-(4-Methanesulfonylnaphthalen-1-yl)pyrrolidine
- IUPAC
- 1-(4-methylsulfonylnaphthalen-1-yl)pyrrolidine
Names & synonyms
1-(4-Methanesulfonylnaphthalen-1-yl)pyrrolidine870889-01-3SCHEMBL4878854DTXSID204700641-[4-(Methanesulfonyl)naphthalen-1-yl]pyrrolidine
Database identifiers
- CAS
870889-01-3- PubChem CID
- 11651998
- DTXSID
DTXSID20470064
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 408
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Related reactions
1 records
Compound notes
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