1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone

C9H11NOS — CID 82408181

IUPAC1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone
SMILESCC(=O)c1scc2c1CNCC2
InChIInChI=1S/C9H11NOS/c1-6(11)9-8-4-10-3-2-7(8)5-12-9/h5,10H,2-4H2,1H3
InChIKeyHQILBHPOEOZOKF-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.60
Rot. Bonds1

About 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone

1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone (PubChem CID 82408181) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone
PubChem CID82408181
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone
SMILESCC(=O)c1scc2c1CNCC2
InChIInChI=1S/C9H11NOS/c1-6(11)9-8-4-10-3-2-7(8)5-12-9/h5,10H,2-4H2,1H3
InChIKeyHQILBHPOEOZOKF-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone?
The IUPAC name of 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone (CID 82408181) is 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone is CC(=O)c1scc2c1CNCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone?
The InChIKey is HQILBHPOEOZOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-6(11)9-8-4-10-3-2-7(8)5-12-9/h5,10H,2-4H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone?
1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone has a molecular weight of 181.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone is sourced from PubChem (CID 82408181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).