7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine

C8H15NS — CID 89258245

IUPAC7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine
SMILESCN1CCCC2CCSC21
InChIInChI=1S/C8H15NS/c1-9-5-2-3-7-4-6-10-8(7)9/h7-8H,2-6H2,1H3
InChIKeyPFKNEMIRBAWEES-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.79
Rot. Bonds

About 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine

7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine (PubChem CID 89258245) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine.

Molecular Properties

Compound Name7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine
PubChem CID89258245
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine
SMILESCN1CCCC2CCSC21
InChIInChI=1S/C8H15NS/c1-9-5-2-3-7-4-6-10-8(7)9/h7-8H,2-6H2,1H3
InChIKeyPFKNEMIRBAWEES-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine?
The IUPAC name of 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine (CID 89258245) is 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine.
What is the SMILES notation for 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine?
The canonical SMILES for 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine is CN1CCCC2CCSC21.
What is the InChIKey of 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine?
The InChIKey is PFKNEMIRBAWEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-5-2-3-7-4-6-10-8(7)9/h7-8H,2-6H2,1H3.
What are the key properties of 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine?
7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine has a molecular weight of 157.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,3a,4,5,6,7a-hexahydro-2H-thieno[2,3-b]pyridine is sourced from PubChem (CID 89258245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).