2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide

C13H22N4O3S — CID 103270036

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H22N4O3S/c1-6-17(5)13(18)10(2)15-12-8-7-11(9-14-12)21(19,20)16(3)4/h7-10H,6H2,1-5H3,(H,14,15)
InChIKeyIVWUHWCFXFZOIX-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.61
Rot. Bonds6

About 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103270036) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103270036
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H22N4O3S/c1-6-17(5)13(18)10(2)15-12-8-7-11(9-14-12)21(19,20)16(3)4/h7-10H,6H2,1-5H3,(H,14,15)
InChIKeyIVWUHWCFXFZOIX-UHFFFAOYSA-N
XLogP0.61
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341149
N-ethyl-N-methyl-2-(pyrimidin-4-ylamino)propanamide
CID 103111508
N,N-dimethyl-6-(6-methylheptan-2-ylamino)pyridine-3-sulfonamide
CID 103340977
N-ethyl-N-methyl-2-[(6-methylpyridazin-3-yl)amino]propanamide
CID 103111706
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
6-(1-cyclobutylethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103850302
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide (CID 103270036) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is IVWUHWCFXFZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-6-17(5)13(18)10(2)15-12-8-7-11(9-14-12)21(19,20)16(3)4/h7-10H,6H2,1-5H3,(H,14,15).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103270036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).