6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide

C12H22N4O2S — CID 103341149

IUPAC6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(C)C(CN)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-9(2)11(7-13)15-12-6-5-10(8-14-12)19(17,18)16(3)4/h5-6,8-9,11H,7,13H2,1-4H3,(H,14,15)
InChIKeyGXCMCTPXRGPIHE-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.73
Rot. Bonds6

About 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341149) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341149
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(C)C(CN)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H22N4O2S/c1-9(2)11(7-13)15-12-6-5-10(8-14-12)19(17,18)16(3)4/h5-6,8-9,11H,7,13H2,1-4H3,(H,14,15)
InChIKeyGXCMCTPXRGPIHE-UHFFFAOYSA-N
XLogP0.73
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide
CID 103340977
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103270036
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 106504441
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 107159183
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-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103341149) is 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide is CC(C)C(CN)Nc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is GXCMCTPXRGPIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)11(7-13)15-12-6-5-10(8-14-12)19(17,18)16(3)4/h5-6,8-9,11H,7,13H2,1-4H3,(H,14,15).
What are the key properties of 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).