2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid

C11H24N2O4S — CID 43619242

IUPAC2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-7-9-13(4)18(16,17)12-11(3,8-6-2)10(14)15/h12H,5-9H2,1-4H3,(H,14,15)
InChIKeyWTOQWSKILNOWLV-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.20
Rot. Bonds9

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

2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid (PubChem CID 43619242) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid
PubChem CID43619242
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-7-9-13(4)18(16,17)12-11(3,8-6-2)10(14)15/h12H,5-9H2,1-4H3,(H,14,15)
InChIKeyWTOQWSKILNOWLV-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylsulfamoylamino)-4-methylpentanoic acid
CID 28363758
(2R)-2-amino-4-methylpentanoic acid;[methyl(sulfinato)amino]methane
CID 89800310
(2S)-2-amino-4-methylpentanoic acid;sulfamide
CID 90006065
2-(Dimethylsulfamoylamino)-4-methylpentanoic acid
CID 24262937
(2R)-2-(dimethylsulfamoylazaniumyl)-4-methylpentanoate
CID 28363757
(2S)-2-(dimethylsulfamoylazaniumyl)-4-methylpentanoate
CID 28363759
(2S)-2-(dimethylsulfamoylamino)-4-methylpentanoic acid
CID 28363760
(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28783924
(2S)-4-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28783928
(2R)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 28783942
(2S)-4-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 28783947
(2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid
CID 28783957

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid (CID 43619242) is 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid is CCCCN(C)S(=O)(=O)NC(C)(CCC)C(=O)O.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid?
The InChIKey is WTOQWSKILNOWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-7-9-13(4)18(16,17)12-11(3,8-6-2)10(14)15/h12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid?
2-[[butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.20, 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]-2-methylpentanoic acid is sourced from PubChem (CID 43619242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).