2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide

C12H15N3O2S2 — CID 62145049

IUPAC2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCCc2cccs2)ccn1
InChIInChI=1S/C12H15N3O2S2/c1-13-12-9-11(5-6-14-12)19(16,17)15-7-4-10-3-2-8-18-10/h2-3,5-6,8-9,15H,4,7H2,1H3,(H,13,14)
InChIKeyITSXXJUFGSZEBG-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.71
Rot. Bonds6

About 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide

2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide (PubChem CID 62145049) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
PubChem CID62145049
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCCc2cccs2)ccn1
InChIInChI=1S/C12H15N3O2S2/c1-13-12-9-11(5-6-14-12)19(16,17)15-7-4-10-3-2-8-18-10/h2-3,5-6,8-9,15H,4,7H2,1H3,(H,13,14)
InChIKeyITSXXJUFGSZEBG-UHFFFAOYSA-N
XLogP1.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145050
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106049745
N-[2-[[2-(methylamino)-4-pyridinyl]sulfonylamino]ethyl]acetamide
CID 62145904
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
N-[2-methyl-4-(2-thiophen-2-ylethylsulfamoyl)phenyl]acetamide
CID 58962527
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide (CID 62145049) is 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NCCc2cccs2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide?
The InChIKey is ITSXXJUFGSZEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-13-12-9-11(5-6-14-12)19(16,17)15-7-4-10-3-2-8-18-10/h2-3,5-6,8-9,15H,4,7H2,1H3,(H,13,14).
What are the key properties of 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide?
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62145049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).