5-ethylsulfanyl-1H-pyridin-2-one

C7H9NOS — CID 119087839

IUPAC5-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1ccc(=O)[nH]c1
InChIInChI=1S/C7H9NOS/c1-2-10-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyBPUJAHNTLACIOB-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.49
Rot. Bonds2

About 5-ethylsulfanyl-1H-pyridin-2-one

5-ethylsulfanyl-1H-pyridin-2-one (PubChem CID 119087839) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 5-ethylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethylsulfanyl-1H-pyridin-2-one
PubChem CID119087839
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name5-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1ccc(=O)[nH]c1
InChIInChI=1S/C7H9NOS/c1-2-10-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyBPUJAHNTLACIOB-UHFFFAOYSA-N
XLogP1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethylsulfanyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 5-ethylsulfanyl-1H-pyridin-2-one (CID 119087839) is 5-ethylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5-ethylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5-ethylsulfanyl-1H-pyridin-2-one is CCSc1ccc(=O)[nH]c1.
What is the InChIKey of 5-ethylsulfanyl-1H-pyridin-2-one?
The InChIKey is BPUJAHNTLACIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-10-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethylsulfanyl-1H-pyridin-2-one?
5-ethylsulfanyl-1H-pyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 119087839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).