1-(2-sulfanylethyl)pyridin-2-one

C7H9NOS — CID 15573909

IUPAC1-(2-sulfanylethyl)pyridin-2-one
SMILESO=c1ccccn1CCS
InChIInChI=1S/C7H9NOS/c9-7-3-1-2-4-8(7)5-6-10/h1-4,10H,5-6H2
InChIKeyMBKVSJYIXBPHBC-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.78
Rot. Bonds2

About 1-(2-sulfanylethyl)pyridin-2-one

1-(2-sulfanylethyl)pyridin-2-one (PubChem CID 15573909) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(2-sulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-sulfanylethyl)pyridin-2-one
PubChem CID15573909
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-(2-sulfanylethyl)pyridin-2-one
SMILESO=c1ccccn1CCS
InChIInChI=1S/C7H9NOS/c9-7-3-1-2-4-8(7)5-6-10/h1-4,10H,5-6H2
InChIKeyMBKVSJYIXBPHBC-UHFFFAOYSA-N
XLogP0.78
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
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 1-(2-sulfanylethyl)pyridin-2-one?
The IUPAC name of 1-(2-sulfanylethyl)pyridin-2-one (CID 15573909) is 1-(2-sulfanylethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-sulfanylethyl)pyridin-2-one?
The canonical SMILES for 1-(2-sulfanylethyl)pyridin-2-one is O=c1ccccn1CCS.
What is the InChIKey of 1-(2-sulfanylethyl)pyridin-2-one?
The InChIKey is MBKVSJYIXBPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-7-3-1-2-4-8(7)5-6-10/h1-4,10H,5-6H2.
What are the key properties of 1-(2-sulfanylethyl)pyridin-2-one?
1-(2-sulfanylethyl)pyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylethyl)pyridin-2-one is sourced from PubChem (CID 15573909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).