5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide

C13H17N3O2S2 — CID 75393016

IUPAC5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc(C)s1)C2
InChIInChI=1S/C13H17N3O2S2/c1-9-7-16-8-11(4-5-12(16)14-9)15-20(17,18)13-6-3-10(2)19-13/h3,6-7,11,15H,4-5,8H2,1-2H3
InChIKeyVNGHCEWEKWDOBR-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.85
Rot. Bonds3

About 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide

5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide (PubChem CID 75393016) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide
PubChem CID75393016
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide
SMILESCc1cn2c(n1)CCC(NS(=O)(=O)c1ccc(C)s1)C2
InChIInChI=1S/C13H17N3O2S2/c1-9-7-16-8-11(4-5-12(16)14-9)15-20(17,18)13-6-3-10(2)19-13/h3,6-7,11,15H,4-5,8H2,1-2H3
InChIKeyVNGHCEWEKWDOBR-UHFFFAOYSA-N
XLogP1.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide (CID 75393016) is 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide is Cc1cn2c(n1)CCC(NS(=O)(=O)c1ccc(C)s1)C2.
What is the InChIKey of 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide?
The InChIKey is VNGHCEWEKWDOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-7-16-8-11(4-5-12(16)14-9)15-20(17,18)13-6-3-10(2)19-13/h3,6-7,11,15H,4-5,8H2,1-2H3.
What are the key properties of 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide?
5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 75393016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).