6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide

C11H19N3O2S — CID 113250552

IUPAC6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C11H19N3O2S/c1-5-9(2)13-11-7-6-10(8-12-11)17(15,16)14(3)4/h6-9H,5H2,1-4H3,(H,12,13)
InChIKeyJVGNUSMUBDZHSM-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.54
Rot. Bonds5

About 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide

6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 113250552) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID113250552
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCCC(C)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C11H19N3O2S/c1-5-9(2)13-11-7-6-10(8-12-11)17(15,16)14(3)4/h6-9H,5H2,1-4H3,(H,12,13)
InChIKeyJVGNUSMUBDZHSM-UHFFFAOYSA-N
XLogP1.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(butan-2-ylamino)-N,N-dimethylpyridine-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

N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide
CID 103340977
6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341149
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103270036
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide (CID 113250552) is 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide is CCC(C)Nc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is JVGNUSMUBDZHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-9(2)13-11-7-6-10(8-12-11)17(15,16)14(3)4/h6-9H,5H2,1-4H3,(H,12,13).
What are the key properties of 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide?
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 113250552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).