7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H19NS — CID 83707838

IUPAC7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cc2c(s1)C(C1CCCCC1)CNC2
InChIInChI=1S/C13H19NS/c1-2-4-10(5-3-1)12-9-14-8-11-6-7-15-13(11)12/h6-7,10,12,14H,1-5,8-9H2
InChIKeyOLEVSGAGKZFALQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.52
Rot. Bonds1

About 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 83707838) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID83707838
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1cc2c(s1)C(C1CCCCC1)CNC2
InChIInChI=1S/C13H19NS/c1-2-4-10(5-3-1)12-9-14-8-11-6-7-15-13(11)12/h6-7,10,12,14H,1-5,8-9H2
InChIKeyOLEVSGAGKZFALQ-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 83707838) is 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is c1cc2c(s1)C(C1CCCCC1)CNC2.
What is the InChIKey of 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is OLEVSGAGKZFALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-4-10(5-3-1)12-9-14-8-11-6-7-15-13(11)12/h6-7,10,12,14H,1-5,8-9H2.
What are the key properties of 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 221.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 83707838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).