2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one

C10H13NOS — CID 19771729

IUPAC2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCSC2
InChIInChI=1S/C10H13NOS/c1-2-7-5-10(12)8-6-13-4-3-9(8)11-7/h5H,2-4,6H2,1H3,(H,11,12)
InChIKeyNLIQVRVSIYQQJA-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.73
Rot. Bonds1

About 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one

2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one (PubChem CID 19771729) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one
PubChem CID19771729
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one
SMILESCCc1cc(=O)c2c([nH]1)CCSC2
InChIInChI=1S/C10H13NOS/c1-2-7-5-10(12)8-6-13-4-3-9(8)11-7/h5H,2-4,6H2,1H3,(H,11,12)
InChIKeyNLIQVRVSIYQQJA-UHFFFAOYSA-N
XLogP1.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one 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 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one?
The IUPAC name of 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one (CID 19771729) is 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one.
What is the SMILES notation for 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one?
The canonical SMILES for 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one is CCc1cc(=O)c2c([nH]1)CCSC2.
What is the InChIKey of 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one?
The InChIKey is NLIQVRVSIYQQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-7-5-10(12)8-6-13-4-3-9(8)11-7/h5H,2-4,6H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one?
2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one has a molecular weight of 195.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,5,7,8-tetrahydrothiopyrano[4,3-b]pyridin-4-one is sourced from PubChem (CID 19771729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).