Basic information
- CAS
111318-13-9- Standard SMILES
C1=CCN(C2(c3cccs3)CCCCC2)CC1- InChIKey
NDTNWLZCHFUWIS-UHFFFAOYSA-N- Molecular formula
- C15H21NS
- Average molar mass
- 247.4 g/mol
- Monoisotopic mass
- 247.13947085
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-1-[1-(2-thienyl)cyclohexyl]pyridine
- IUPAC
- 1-(1-thiophen-2-ylcyclohexyl)-3,6-dihydro-2H-pyridine
Names & synonyms
CHEMBL3071131,2,3,6-Tetrahydro-1-[1-(2-thienyl)cyclohexyl]pyridine111318-13-9NSC711029SCHEMBL8866726DTXSID601345887BDBM50015734NSC-7110291-(1-Thiophen-2-yl-cyclohexyl)-1,2,3,6-tetrahydro-pyridine
Database identifiers
- CAS
111318-13-9- PubChem CID
- 399892
- DTXSID
DTXSID601345887- ChEMBL
CHEMBL307113- Nikkaji
- J336.703G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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