2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid

C10H21NO4S — CID 79792159

IUPAC2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)CC(C)(C)C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-6-10(5,8(12)13)11-16(14,15)7-9(2,3)4/h11H,6-7H2,1-5H3,(H,12,13)
InChIKeyOEAZYPWTHTWICT-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.21
Rot. Bonds5

About 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid

2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid (PubChem CID 79792159) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid
PubChem CID79792159
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)CC(C)(C)C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-6-10(5,8(12)13)11-16(14,15)7-9(2,3)4/h11H,6-7H2,1-5H3,(H,12,13)
InChIKeyOEAZYPWTHTWICT-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 79793406
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 64556421
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79790236
2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-(3,5-dimethylanilino)-2-methylbutanoic acid
CID 71564852
2-methyl-2-(2-methylsulfonylanilino)butanoic acid
CID 79798877
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793309
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
CID 43619222
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
2-(2,6-dimethylanilino)-2-methylbutanoic acid
CID 70558960

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid (CID 79792159) is 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid is CCC(C)(NS(=O)(=O)CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid?
The InChIKey is OEAZYPWTHTWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-6-10(5,8(12)13)11-16(14,15)7-9(2,3)4/h11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid?
2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid is sourced from PubChem (CID 79792159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).