5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one

C11H11NOS2 — CID 11299374

IUPAC5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one
SMILESCC(S)c1ccc(=O)[nH]c1-c1cccs1
InChIInChI=1S/C11H11NOS2/c1-7(14)8-4-5-10(13)12-11(8)9-3-2-6-15-9/h2-7,14H,1H3,(H,12,13)
InChIKeyBTZPZIYFJGLJGD-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.09
Rot. Bonds2

About 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one

5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one (PubChem CID 11299374) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one
PubChem CID11299374
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one
SMILESCC(S)c1ccc(=O)[nH]c1-c1cccs1
InChIInChI=1S/C11H11NOS2/c1-7(14)8-4-5-10(13)12-11(8)9-3-2-6-15-9/h2-7,14H,1H3,(H,12,13)
InChIKeyBTZPZIYFJGLJGD-UHFFFAOYSA-N
XLogP3.09
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one (CID 11299374) is 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one is CC(S)c1ccc(=O)[nH]c1-c1cccs1.
What is the InChIKey of 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one?
The InChIKey is BTZPZIYFJGLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-7(14)8-4-5-10(13)12-11(8)9-3-2-6-15-9/h2-7,14H,1H3,(H,12,13).
What are the key properties of 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one?
5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one has a molecular weight of 237.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-sulfanylethyl)-6-thiophen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 11299374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).