1-(1,1-dioxothietan-3-yl)pyridin-2-one

C8H9NO3S — CID 10330383

IUPAC1-(1,1-dioxothietan-3-yl)pyridin-2-one
SMILESO=c1ccccn1C1CS(=O)(=O)C1
InChIInChI=1S/C8H9NO3S/c10-8-3-1-2-4-9(8)7-5-13(11,12)6-7/h1-4,7H,5-6H2
InChIKeyIKPZYPOUXLDGME-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.18
Rot. Bonds1

About 1-(1,1-dioxothietan-3-yl)pyridin-2-one

1-(1,1-dioxothietan-3-yl)pyridin-2-one (PubChem CID 10330383) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(1,1-dioxothietan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(1,1-dioxothietan-3-yl)pyridin-2-one
PubChem CID10330383
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name1-(1,1-dioxothietan-3-yl)pyridin-2-one
SMILESO=c1ccccn1C1CS(=O)(=O)C1
InChIInChI=1S/C8H9NO3S/c10-8-3-1-2-4-9(8)7-5-13(11,12)6-7/h1-4,7H,5-6H2
InChIKeyIKPZYPOUXLDGME-UHFFFAOYSA-N
XLogP-0.18
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothietan-3-yl)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 1-(1,1-dioxothietan-3-yl)pyridin-2-one?
The IUPAC name of 1-(1,1-dioxothietan-3-yl)pyridin-2-one (CID 10330383) is 1-(1,1-dioxothietan-3-yl)pyridin-2-one.
What is the SMILES notation for 1-(1,1-dioxothietan-3-yl)pyridin-2-one?
The canonical SMILES for 1-(1,1-dioxothietan-3-yl)pyridin-2-one is O=c1ccccn1C1CS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothietan-3-yl)pyridin-2-one?
The InChIKey is IKPZYPOUXLDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-8-3-1-2-4-9(8)7-5-13(11,12)6-7/h1-4,7H,5-6H2.
What are the key properties of 1-(1,1-dioxothietan-3-yl)pyridin-2-one?
1-(1,1-dioxothietan-3-yl)pyridin-2-one has a molecular weight of 199.23 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothietan-3-yl)pyridin-2-one is sourced from PubChem (CID 10330383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).