3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one

C7H9NOS — CID 69048553

IUPAC3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one
SMILESO=C1CSC2=CCCNC12
InChIInChI=1S/C7H9NOS/c9-5-4-10-6-2-1-3-8-7(5)6/h2,7-8H,1,3-4H2
InChIKeyURRMOUMUAVELBF-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.55
Rot. Bonds

About 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one

3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one (PubChem CID 69048553) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one.

Molecular Properties

Compound Name3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one
PubChem CID69048553
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one
SMILESO=C1CSC2=CCCNC12
InChIInChI=1S/C7H9NOS/c9-5-4-10-6-2-1-3-8-7(5)6/h2,7-8H,1,3-4H2
InChIKeyURRMOUMUAVELBF-UHFFFAOYSA-N
XLogP0.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one?
The IUPAC name of 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one (CID 69048553) is 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one.
What is the SMILES notation for 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one?
The canonical SMILES for 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one is O=C1CSC2=CCCNC12.
What is the InChIKey of 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one?
The InChIKey is URRMOUMUAVELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-5-4-10-6-2-1-3-8-7(5)6/h2,7-8H,1,3-4H2.
What are the key properties of 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one?
3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one has a molecular weight of 155.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6-tetrahydrothieno[3,2-b]pyridin-3-one is sourced from PubChem (CID 69048553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).