1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one

C11H15NO2S — CID 79203784

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCc2sccc2C1
InChIInChI=1S/C11H15NO2S/c13-6-1-2-11(14)12-5-3-10-9(8-12)4-7-15-10/h4,7,13H,1-3,5-6,8H2
InChIKeyODSXEBNNAIGYJL-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.41
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one (PubChem CID 79203784) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one
PubChem CID79203784
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCc2sccc2C1
InChIInChI=1S/C11H15NO2S/c13-6-1-2-11(14)12-5-3-10-9(8-12)4-7-15-10/h4,7,13H,1-3,5-6,8H2
InChIKeyODSXEBNNAIGYJL-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone
CID 71995199
5-Acetyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 21472069
4-oxo-4-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)butanoic acid
CID 16776447
4-amino-1-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)butan-1-one hydrochloride
CID 119030925
1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-one
CID 60708784
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde
CID 64992263
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 41327585
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 45837286
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
CID 52415197
(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 52556397
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 53502110

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one (CID 79203784) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one is O=C(CCCO)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one?
The InChIKey is ODSXEBNNAIGYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-6-1-2-11(14)12-5-3-10-9(8-12)4-7-15-10/h4,7,13H,1-3,5-6,8H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one has a molecular weight of 225.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 79203784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).