4-(1-sulfanylethyl)-1H-pyridin-2-one

C7H9NOS — CID 153223539

IUPAC4-(1-sulfanylethyl)-1H-pyridin-2-one
SMILESCC(S)c1cc[nH]c(=O)c1
InChIInChI=1S/C7H9NOS/c1-5(10)6-2-3-8-7(9)4-6/h2-5,10H,1H3,(H,8,9)
InChIKeyWODLUMYUPGKKDD-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.37
Rot. Bonds1

About 4-(1-sulfanylethyl)-1H-pyridin-2-one

4-(1-sulfanylethyl)-1H-pyridin-2-one (PubChem CID 153223539) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-(1-sulfanylethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-sulfanylethyl)-1H-pyridin-2-one
PubChem CID153223539
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4-(1-sulfanylethyl)-1H-pyridin-2-one
SMILESCC(S)c1cc[nH]c(=O)c1
InChIInChI=1S/C7H9NOS/c1-5(10)6-2-3-8-7(9)4-6/h2-5,10H,1H3,(H,8,9)
InChIKeyWODLUMYUPGKKDD-UHFFFAOYSA-N
XLogP1.37
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(1-sulfanylethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(1-sulfanylethyl)-1H-pyridin-2-one (CID 153223539) is 4-(1-sulfanylethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-sulfanylethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(1-sulfanylethyl)-1H-pyridin-2-one is CC(S)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-(1-sulfanylethyl)-1H-pyridin-2-one?
The InChIKey is WODLUMYUPGKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5(10)6-2-3-8-7(9)4-6/h2-5,10H,1H3,(H,8,9).
What are the key properties of 4-(1-sulfanylethyl)-1H-pyridin-2-one?
4-(1-sulfanylethyl)-1H-pyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-sulfanylethyl)-1H-pyridin-2-one is sourced from PubChem (CID 153223539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).