4-(3-methyl-piperidino)-tetrahydro-4H-thiopyran-4-carbonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC1CCCN(C2(C#N)CCSCC2)C1- InChIKey
LHEAZWOKLDLDHU-UHFFFAOYSA-N- Molecular formula
- C12H20N2S
- Average molar mass
- 224.37 g/mol
Names & identifiers
- Preferred name
- 4-(3-methyl-piperidino)-tetrahydro-4H-thiopyran-4-carbonitrile
- IUPAC
- 4-(3-methylpiperidin-1-yl)thiane-4-carbonitrile
Names & synonyms
SCHEMBL7700900LHEAZWOKLDLDHU-UHFFFAOYSA-N4-(3-methyl-piperidino)-tetrahydro-4H-thiopyran-4-carbonitrile
Database identifiers
- PubChem CID
- 18323945
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…