(2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid

C6H13NO4S — CID 18738436

IUPAC(2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid
SMILESC[C@@H](CS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(6(8)9)4-12(10,11)7(2)3/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyIXDKJVCZEWSRKI-YFKPBYRVSA-N
MW195.24 g/mol
LogP-0.40
Rot. Bonds4

About (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid

(2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid (PubChem CID 18738436) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid
PubChem CID18738436
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name(2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid
SMILESC[C@@H](CS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-5(6(8)9)4-12(10,11)7(2)3/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyIXDKJVCZEWSRKI-YFKPBYRVSA-N
XLogP-0.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(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-aminosulfonyl-2(R)-methylpropionic acid
CID 18738435
Dicarboxy-(2-carboxypropylsulfonyl)-methylazanium
CID 19962715
2-[Tert-butyl(methyl)sulfamoyl]acetic acid
CID 21709122
2-Methyl-3-sulfamoylpropanoic acid
CID 21985264
3-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 21985269
2,2-Dimethyl-3-(methylideneamino)sulfonylpropanoic acid
CID 22888287
2-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 23089081
(2S)-2-methyl-3-sulfamoylpropanoic acid
CID 53696833
(S)-3-(N,N-Dimethylsulfamoyl)-2-methylpropanoic acid
CID 53940028

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid (CID 18738436) is (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid is C[C@@H](CS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid?
The InChIKey is IXDKJVCZEWSRKI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(6(8)9)4-12(10,11)7(2)3/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid?
(2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dimethylsulfamoyl)-2-methylpropanoic acid is sourced from PubChem (CID 18738436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).