1-(Propylsulfonyl)-3-pyridin-2-ylazetidine-3-carbonitrile
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Basic information
- Standard SMILES
CCCS(=O)(=O)N1CC(C#N)(c2ccccn2)C1- InChIKey
KKNDPNIZZLALOH-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2S
- Average molar mass
- 265.33 g/mol
Names & identifiers
- Preferred name
- 1-(Propylsulfonyl)-3-pyridin-2-ylazetidine-3-carbonitrile
- IUPAC
- 1-propylsulfonyl-3-pyridin-2-ylazetidine-3-carbonitrile
Names & synonyms
SCHEMBL3888792KKNDPNIZZLALOH-UHFFFAOYSA-N1-(propylsulfonyl)-3-pyridin-2-ylazetidine-3-carbonitrile
Database identifiers
- PubChem CID
- 57798311
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 440
Related reactions
3 records
Compound notes
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