3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine

C8H11NS — CID 143063122

IUPAC3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine
SMILESCC1CSC2CC=CN=C12
InChIInChI=1S/C8H11NS/c1-6-5-10-7-3-2-4-9-8(6)7/h2,4,6-7H,3,5H2,1H3
InChIKeyWVELCDWEEJDZPQ-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.10
Rot. Bonds

About 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine

3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine (PubChem CID 143063122) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine
PubChem CID143063122
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine
SMILESCC1CSC2CC=CN=C12
InChIInChI=1S/C8H11NS/c1-6-5-10-7-3-2-4-9-8(6)7/h2,4,6-7H,3,5H2,1H3
InChIKeyWVELCDWEEJDZPQ-UHFFFAOYSA-N
XLogP2.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-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

Related Compounds

Tetrahydropyrido(b)thiophene
CID 129786507
2-Methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine
CID 70367304
3-ethyl-2H-1,4-thiazine;3-methylhexa-1,5-diene
CID 155726356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine?
The IUPAC name of 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine (CID 143063122) is 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine.
What is the SMILES notation for 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine?
The canonical SMILES for 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine is CC1CSC2CC=CN=C12.
What is the InChIKey of 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine?
The InChIKey is WVELCDWEEJDZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-5-10-7-3-2-4-9-8(6)7/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine?
3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine has a molecular weight of 153.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine is sourced from PubChem (CID 143063122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).