4-(dimethylsulfamoyl)-3-methylbutanoic acid

C7H15NO4S — CID 123459344

IUPAC4-(dimethylsulfamoyl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)CS(=O)(=O)N(C)C
InChIInChI=1S/C7H15NO4S/c1-6(4-7(9)10)5-13(11,12)8(2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKTGZOAGHQPNKIH-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds5

About 4-(dimethylsulfamoyl)-3-methylbutanoic acid

4-(dimethylsulfamoyl)-3-methylbutanoic acid (PubChem CID 123459344) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-3-methylbutanoic acid
PubChem CID123459344
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-(dimethylsulfamoyl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)CS(=O)(=O)N(C)C
InChIInChI=1S/C7H15NO4S/c1-6(4-7(9)10)5-13(11,12)8(2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKTGZOAGHQPNKIH-UHFFFAOYSA-N
XLogP-0.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoyl)propanoic acid
CID 28773888
3-((dimethylamino)sulfonyl]-2(R)-methylpropionic acid
CID 18738436
3-(Dimethylsulfamoyl)-2,3-dimethylbutanoic acid
CID 18738475
3-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 21985269
2-(Dimethylsulfamoyl)-2-methylpropanoic acid
CID 23089081
(S)-3-(N,N-Dimethylsulfamoyl)-2-methylpropanoic acid
CID 53940028
2-Methyl-4-sulfamoylbutanoic acid
CID 54302714
2-(Dimethylsulfamoyl)propanoic acid
CID 61454534
2-Ethyl-4-sulfamoylbutanoic acid
CID 87250376
(3S)-3-methyl-4-sulfamoylbutanoic acid
CID 129231504
2-Acetyloxysulfonyl-3-methylbutanoic acid
CID 174373749
5-(Dimethylsulfamoyl)pentanoic acid
CID 28704891

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-3-methylbutanoic acid?
The IUPAC name of 4-(dimethylsulfamoyl)-3-methylbutanoic acid (CID 123459344) is 4-(dimethylsulfamoyl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(dimethylsulfamoyl)-3-methylbutanoic acid?
The canonical SMILES for 4-(dimethylsulfamoyl)-3-methylbutanoic acid is CC(CC(=O)O)CS(=O)(=O)N(C)C.
What is the InChIKey of 4-(dimethylsulfamoyl)-3-methylbutanoic acid?
The InChIKey is KTGZOAGHQPNKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(4-7(9)10)5-13(11,12)8(2)3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 4-(dimethylsulfamoyl)-3-methylbutanoic acid?
4-(dimethylsulfamoyl)-3-methylbutanoic acid has a molecular weight of 209.27 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-3-methylbutanoic acid is sourced from PubChem (CID 123459344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).