Basic information
- Standard SMILES
CN[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(F)c23)C1- InChIKey
YYBYKTBUFFPPCZ-LLVKDONJSA-N- Molecular formula
- C14H16FN3O2S
- Average molar mass
- 309.36 g/mol
Names & identifiers
- Preferred name
- (R)-1-(4-Fluoro-5-isoquinolinesulfonyl)-3-(methylamino)pyrrolidine
- IUPAC
- (3R)-1-(4-fluoroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine
Names & synonyms
SCHEMBL2002105YYBYKTBUFFPPCZ-LLVKDONJSA-N(R)-1-(4-Fluoro-5-isoquinolinesulfonyl)-3-(methylamino)pyrrolidine
Database identifiers
- PubChem CID
- 67243602
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 467
Related reactions
3 records
Compound notes
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