3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid

C8H17NO4S — CID 18738475

IUPAC3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)(C)S(=O)(=O)N(C)C
InChIInChI=1S/C8H17NO4S/c1-6(7(10)11)8(2,3)14(12,13)9(4)5/h6H,1-5H3,(H,10,11)
InChIKeyUJGNIWLLPGLYFO-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.38
Rot. Bonds4

About 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid

3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid (PubChem CID 18738475) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid
PubChem CID18738475
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)(C)S(=O)(=O)N(C)C
InChIInChI=1S/C8H17NO4S/c1-6(7(10)11)8(2,3)14(12,13)9(4)5/h6H,1-5H3,(H,10,11)
InChIKeyUJGNIWLLPGLYFO-UHFFFAOYSA-N
XLogP0.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Dimethylsulfamoyl)-3-methylbutanoic acid
CID 123459344
4-[Methyl(2-methylpropyl)sulfamoyl]butanoic acid
CID 43271866
4-[Methyl(2-methylbutyl)sulfamoyl]butanoic acid
CID 43295756
4-[Methyl(3-methylbutyl)sulfamoyl]butanoic acid
CID 60952044
1-(Dimethylsulfamoyl)cyclopropane-1-carboxylic acid
CID 115019358

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid?
The IUPAC name of 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid (CID 18738475) is 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid.
What is the SMILES notation for 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid?
The canonical SMILES for 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid is CC(C(=O)O)C(C)(C)S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid?
The InChIKey is UJGNIWLLPGLYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(7(10)11)8(2,3)14(12,13)9(4)5/h6H,1-5H3,(H,10,11).
What are the key properties of 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid?
3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-2,3-dimethylbutanoic acid is sourced from PubChem (CID 18738475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).