2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide

C9H12N4O2S2 — CID 103386257

IUPAC2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide
SMILESCn1cnc2c(SCCS(N)(=O)=O)nccc21
InChIInChI=1S/C9H12N4O2S2/c1-13-6-12-8-7(13)2-3-11-9(8)16-4-5-17(10,14)15/h2-3,6H,4-5H2,1H3,(H2,10,14,15)
InChIKeyBEQAOELKHYIYNY-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.35
Rot. Bonds4

About 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide

2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide (PubChem CID 103386257) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide.

Molecular Properties

Compound Name2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide
PubChem CID103386257
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide
SMILESCn1cnc2c(SCCS(N)(=O)=O)nccc21
InChIInChI=1S/C9H12N4O2S2/c1-13-6-12-8-7(13)2-3-11-9(8)16-4-5-17(10,14)15/h2-3,6H,4-5H2,1H3,(H2,10,14,15)
InChIKeyBEQAOELKHYIYNY-UHFFFAOYSA-N
XLogP0.35
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide?
The IUPAC name of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide (CID 103386257) is 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide.
What is the SMILES notation for 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide?
The canonical SMILES for 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide is Cn1cnc2c(SCCS(N)(=O)=O)nccc21.
What is the InChIKey of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide?
The InChIKey is BEQAOELKHYIYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-13-6-12-8-7(13)2-3-11-9(8)16-4-5-17(10,14)15/h2-3,6H,4-5H2,1H3,(H2,10,14,15).
What are the key properties of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide?
2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide has a molecular weight of 272.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylethanesulfonamide is sourced from PubChem (CID 103386257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).