1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine

C11H14N4O2S — CID 79296444

IUPAC1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1C1CCCS(=O)(=O)C1
InChIInChI=1S/C11H14N4O2S/c12-11-14-9-6-13-4-3-10(9)15(11)8-2-1-5-18(16,17)7-8/h3-4,6,8H,1-2,5,7H2,(H2,12,14)
InChIKeyOVOQHSUCHGQARZ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.76
Rot. Bonds1

About 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine

1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 79296444) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine
PubChem CID79296444
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1C1CCCS(=O)(=O)C1
InChIInChI=1S/C11H14N4O2S/c12-11-14-9-6-13-4-3-10(9)15(11)8-2-1-5-18(16,17)7-8/h3-4,6,8H,1-2,5,7H2,(H2,12,14)
InChIKeyOVOQHSUCHGQARZ-UHFFFAOYSA-N
XLogP0.76
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-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 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine (CID 79296444) is 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine is Nc1nc2cnccc2n1C1CCCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is OVOQHSUCHGQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-11-14-9-6-13-4-3-10(9)15(11)8-2-1-5-18(16,17)7-8/h3-4,6,8H,1-2,5,7H2,(H2,12,14).
What are the key properties of 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine?
1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 266.33 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-3-yl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 79296444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).