2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide

C9H14BrN3O2S — CID 106337679

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(Br)cc1C
InChIInChI=1S/C9H14BrN3O2S/c1-7-5-8(10)6-13-9(7)12-3-4-16(14,15)11-2/h5-6,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyBPZJDFUTKTWRQQ-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.11
Rot. Bonds5

About 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide

2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide (PubChem CID 106337679) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
PubChem CID106337679
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(Br)cc1C
InChIInChI=1S/C9H14BrN3O2S/c1-7-5-8(10)6-13-9(7)12-3-4-16(14,15)11-2/h5-6,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyBPZJDFUTKTWRQQ-UHFFFAOYSA-N
XLogP1.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide 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

2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334310
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
2-[(3,5-dibromo-2-pyridinyl)methylamino]-N-methylethanesulfonamide
CID 102680182
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342458
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106076772
2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076838
3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
CID 133373833
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide (CID 106337679) is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncc(Br)cc1C.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
The InChIKey is BPZJDFUTKTWRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-7-5-8(10)6-13-9(7)12-3-4-16(14,15)11-2/h5-6,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide?
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106337679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).