5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide

C7H9NOS — CID 71433170

IUPAC5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide
SMILESO=S1C=CC2=CNCCC21
InChIInChI=1S/C7H9NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h2,4-5,7-8H,1,3H2
InChIKeySPYLWRPCMJNNHH-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.51
Rot. Bonds

About 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide

5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide (PubChem CID 71433170) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide.

Molecular Properties

Compound Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide
PubChem CID71433170
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide
SMILESO=S1C=CC2=CNCCC21
InChIInChI=1S/C7H9NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h2,4-5,7-8H,1,3H2
InChIKeySPYLWRPCMJNNHH-UHFFFAOYSA-N
XLogP0.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide 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

5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine
CID 140555339
3,5,6,7-Tetrahydrothieno[3,4-c]pyridine
CID 173292254
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 175793064
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride
CID 71433169

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide?
The IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide (CID 71433170) is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide.
What is the SMILES notation for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide?
The canonical SMILES for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide is O=S1C=CC2=CNCCC21.
What is the InChIKey of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide?
The InChIKey is SPYLWRPCMJNNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h2,4-5,7-8H,1,3H2.
What are the key properties of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide?
5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide has a molecular weight of 155.22 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide is sourced from PubChem (CID 71433170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).