Basic information
- Standard SMILES
CC(C)S(=O)(=O)C(C#N)=CC=CN(C)C- InChIKey
ZHMSGNZALWYYCO-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2S
- Average molar mass
- 228.31 g/mol
Names & identifiers
- Preferred name
- 1-Cyano-1-isopropylsulphonyl-4-dimethylamino-1,3-butadiene
- IUPAC
- 5-(dimethylamino)-2-propan-2-ylsulfonylpenta-2,4-dienenitrile
Names & synonyms
SCHEMBL9474031ZHMSGNZALWYYCO-UHFFFAOYSA-N1-cyano-1-isopropylsulphonyl-4-dimethylamino-1,3-butadiene
Database identifiers
- PubChem CID
- 54547429
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
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