Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC(c2ccncc2)C(C)(C)C#N)cc1- InChIKey
JXFIEFVSEXCXIX-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3S
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-(4-pyridyl)-3-(p-tolylsulfonyloxy)propionitrile
- IUPAC
- (2-cyano-2-methyl-1-pyridin-4-ylpropyl) 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL1678112JXFIEFVSEXCXIX-UHFFFAOYSA-N2,2-dimethyl-3-(4-pyridyl)-3-(p-tolylsulfonyloxy)propionitrile
Database identifiers
- PubChem CID
- 21974022
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 530
Related reactions
9 records
Compound notes
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