2-(dimethylsulfamoyl)-2-methylpropanoic acid

C6H13NO4S — CID 23089081

IUPAC2-(dimethylsulfamoyl)-2-methylpropanoic acid
SMILESCN(C)S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-6(2,5(8)9)12(10,11)7(3)4/h1-4H3,(H,8,9)
InChIKeyVLACHGSVRMLJTN-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.26
Rot. Bonds3

About 2-(dimethylsulfamoyl)-2-methylpropanoic acid

2-(dimethylsulfamoyl)-2-methylpropanoic acid (PubChem CID 23089081) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)-2-methylpropanoic acid
PubChem CID23089081
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(dimethylsulfamoyl)-2-methylpropanoic acid
SMILESCN(C)S(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-6(2,5(8)9)12(10,11)7(3)4/h1-4H3,(H,8,9)
InChIKeyVLACHGSVRMLJTN-UHFFFAOYSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylsulfamoyl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
2-(Dimethylsulfamoyl)acetic acid
CID 21533281
2-Dimethylsulfinamoyl-2-methylpropanoic acid
CID 18723061
3-((dimethylamino)sulfonyl]-2(R)-methylpropionic acid
CID 18738436
3-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 21985269
(S)-3-(N,N-Dimethylsulfamoyl)-2-methylpropanoic acid
CID 53940028
2-(Azetidine-1-sulfonyl)-2-methyl-propionic acid
CID 59267979
2-Methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid
CID 59634229
2-[Butyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 59634323
2-(Dimethylsulfamoyl)propanoic acid
CID 61454534
4-(Dimethylsulfamoyl)-3-methylbutanoic acid
CID 123459344
2-Methyl-2-sulfamoylpropanoic acid
CID 129926063

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)-2-methylpropanoic acid?
The IUPAC name of 2-(dimethylsulfamoyl)-2-methylpropanoic acid (CID 23089081) is 2-(dimethylsulfamoyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(dimethylsulfamoyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(dimethylsulfamoyl)-2-methylpropanoic acid is CN(C)S(=O)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-(dimethylsulfamoyl)-2-methylpropanoic acid?
The InChIKey is VLACHGSVRMLJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-6(2,5(8)9)12(10,11)7(3)4/h1-4H3,(H,8,9).
What are the key properties of 2-(dimethylsulfamoyl)-2-methylpropanoic acid?
2-(dimethylsulfamoyl)-2-methylpropanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)-2-methylpropanoic acid is sourced from PubChem (CID 23089081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).