4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C14H21NS — CID 165478171

IUPAC4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1(C2NCCc3sccc32)CCCCC1
InChIInChI=1S/C14H21NS/c1-14(7-3-2-4-8-14)13-11-6-10-16-12(11)5-9-15-13/h6,10,13,15H,2-5,7-9H2,1H3
InChIKeyLANDLEUOYSSXRV-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.91
Rot. Bonds1

About 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 165478171) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID165478171
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1(C2NCCc3sccc32)CCCCC1
InChIInChI=1S/C14H21NS/c1-14(7-3-2-4-8-14)13-11-6-10-16-12(11)5-9-15-13/h6,10,13,15H,2-5,7-9H2,1H3
InChIKeyLANDLEUOYSSXRV-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 165478171) is 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC1(C2NCCc3sccc32)CCCCC1.
What is the InChIKey of 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is LANDLEUOYSSXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(7-3-2-4-8-14)13-11-6-10-16-12(11)5-9-15-13/h6,10,13,15H,2-5,7-9H2,1H3.
What are the key properties of 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 235.40 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 165478171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).