3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid

C11H24N2O4S — CID 55008134

IUPAC3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-7-13(8-6-2)18(16,17)12(4)9-10(3)11(14)15/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeySHNDGENWJYKYLQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.01
Rot. Bonds9

About 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid

3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 55008134) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID55008134
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-7-13(8-6-2)18(16,17)12(4)9-10(3)11(14)15/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeySHNDGENWJYKYLQ-UHFFFAOYSA-N
XLogP1.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Methyl-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684170
3-[[Butyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65685920
3-[Methyl-[propyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65685922
3-[[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65686339
1-(Dimethylsulfamoyl)azetidine-3-carboxylic acid
CID 21076143
3-[2-Carboxypropyl(dimethyl)azaniumyl]propanoate
CID 57738892
3-[3-Methylbutyl(methylsulfonyl)amino]propanoic acid
CID 82326367
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
3-[Bis(2-carboxypropyl)amino]-2-methylpropanoic acid
CID 87908792
3-[Ethyl(sulfo)amino]propanoic acid
CID 88774127

Frequently Asked Questions

What is the IUPAC name of 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid (CID 55008134) is 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid is CCCN(CCC)S(=O)(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is SHNDGENWJYKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-7-13(8-6-2)18(16,17)12(4)9-10(3)11(14)15/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid?
3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55008134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).