2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide

C13H17N3O2S2 — CID 62157709

IUPAC2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccnc(N)c1)c1cccs1
InChIInChI=1S/C13H17N3O2S2/c1-9(2)13(11-4-3-7-19-11)16-20(17,18)10-5-6-15-12(14)8-10/h3-9,13,16H,1-2H3,(H2,14,15)
InChIKeyVKHKDAHDFQWISG-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide

2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide (PubChem CID 62157709) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
PubChem CID62157709
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccnc(N)c1)c1cccs1
InChIInChI=1S/C13H17N3O2S2/c1-9(2)13(11-4-3-7-19-11)16-20(17,18)10-5-6-15-12(14)8-10/h3-9,13,16H,1-2H3,(H2,14,15)
InChIKeyVKHKDAHDFQWISG-UHFFFAOYSA-N
XLogP2.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
6-amino-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148005
5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64609039
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
2-amino-N-[1-(diethylamino)propan-2-yl]pyridine-4-sulfonamide
CID 62158649
3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
CID 36530929
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898
2-amino-N-(2,6-dibromophenyl)pyridine-4-sulfonamide
CID 107603165
N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46613254
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 55906610
4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 82844715

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide (CID 62157709) is 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide is CC(C)C(NS(=O)(=O)c1ccnc(N)c1)c1cccs1.
What is the InChIKey of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide?
The InChIKey is VKHKDAHDFQWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(2)13(11-4-3-7-19-11)16-20(17,18)10-5-6-15-12(14)8-10/h3-9,13,16H,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide?
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62157709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).