Basic information
- Standard SMILES
CNS(=O)(=O)c1ccc(N(Cc2cccc(C#N)c2)C2CCN(C(C)CCN)CC2)cc1- InChIKey
JREONJFRDSZXAH-UHFFFAOYSA-N- Molecular formula
- C24H33N5O2S
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.23549649
Names & identifiers
- Preferred name
- 4-[[1-(3-amino-1-methyl-propyl)-piperidin-4-yl]-(3-cyano-benzyl)-amino]-N-methyl-benzenesulfonamide
- IUPAC
- 4-[[1-(4-aminobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N-methylbenzenesulfonamide
Names & synonyms
SCHEMBL4240573JREONJFRDSZXAH-UHFFFAOYSA-N4-[[1-(3-amino-1-methyl-propyl)-piperidin-4-yl]-(3-cyano-benzyl)-amino]-N-methyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 68970697
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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