2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine

C9H12N2O3S2 — CID 61367917

IUPAC2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine
SMILESNc1cccnc1S(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H12N2O3S2/c10-8-2-1-4-11-9(8)15(12)7-3-5-16(13,14)6-7/h1-2,4,7H,3,5-6,10H2
InChIKeyHXANFZJWJPXMSH-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.04
Rot. Bonds2

About 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine

2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine (PubChem CID 61367917) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine
PubChem CID61367917
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine
SMILESNc1cccnc1S(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H12N2O3S2/c10-8-2-1-4-11-9(8)15(12)7-3-5-16(13,14)6-7/h1-2,4,7H,3,5-6,10H2
InChIKeyHXANFZJWJPXMSH-UHFFFAOYSA-N
XLogP-0.04
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine 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 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine (CID 61367917) is 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine is Nc1cccnc1S(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine?
The InChIKey is HXANFZJWJPXMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c10-8-2-1-4-11-9(8)15(12)7-3-5-16(13,14)6-7/h1-2,4,7H,3,5-6,10H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine?
2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine has a molecular weight of 260.34 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine is sourced from PubChem (CID 61367917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).