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

C9H12N2O4S2 — CID 61366886

IUPAC2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H12N2O4S2/c10-8-2-1-4-11-9(8)17(14,15)7-3-5-16(12,13)6-7/h1-2,4,7H,3,5-6,10H2
InChIKeyXGLDQAPLUKNVNL-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.38
Rot. Bonds2

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

2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine (PubChem CID 61366886) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine
PubChem CID61366886
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H12N2O4S2/c10-8-2-1-4-11-9(8)17(14,15)7-3-5-16(12,13)6-7/h1-2,4,7H,3,5-6,10H2
InChIKeyXGLDQAPLUKNVNL-UHFFFAOYSA-N
XLogP-0.38
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine (CID 61366886) is 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine is Nc1cccnc1S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine?
The InChIKey is XGLDQAPLUKNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c10-8-2-1-4-11-9(8)17(14,15)7-3-5-16(12,13)6-7/h1-2,4,7H,3,5-6,10H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine?
2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine has a molecular weight of 276.34 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfonylpyridin-3-amine is sourced from PubChem (CID 61366886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).