2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid

C11H24N2O4S — CID 65220915

IUPAC2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-6-7-13(4)18(16,17)12-8-10(9(2)3)11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyDIDLZKUUTKJREE-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.91
Rot. Bonds9

About 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid

2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65220915) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65220915
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-6-7-13(4)18(16,17)12-8-10(9(2)3)11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyDIDLZKUUTKJREE-UHFFFAOYSA-N
XLogP0.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butanoic acid
CID 113636837
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
4-Amino-2-methylbutanoic acid;2-methyl-3-(methylamino)propanoic acid
CID 88371409
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
3-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43351241
3-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361693
3-(Dipropylsulfamoylamino)butanoic acid
CID 43361697
3-(Dipropylsulfamoylamino)-2-methylpropanoic acid
CID 55105020
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 61137028
3-[[Butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
CID 62674301

Frequently Asked Questions

What is the IUPAC name of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid (CID 65220915) is 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid is CCCCN(C)S(=O)(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is DIDLZKUUTKJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-6-7-13(4)18(16,17)12-8-10(9(2)3)11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid?
2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65220915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).