6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide

C12H17N5O2S — CID 62158342

IUPAC6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2nccn2C)cn1
InChIInChI=1S/C12H17N5O2S/c1-13-11-4-3-10(9-15-11)20(18,19)16-6-5-12-14-7-8-17(12)2/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,15)
InChIKeyIOPYDSOTJOHUJO-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.38
Rot. Bonds6

About 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide

6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 62158342) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID62158342
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2nccn2C)cn1
InChIInChI=1S/C12H17N5O2S/c1-13-11-4-3-10(9-15-11)20(18,19)16-6-5-12-14-7-8-17(12)2/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,15)
InChIKeyIOPYDSOTJOHUJO-UHFFFAOYSA-N
XLogP0.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422069
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
4-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 106833177
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 62158342) is 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCCc2nccn2C)cn1.
What is the InChIKey of 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is IOPYDSOTJOHUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-13-11-4-3-10(9-15-11)20(18,19)16-6-5-12-14-7-8-17(12)2/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62158342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).