4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid

C8H16N2O5S — CID 106334792

IUPAC4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-10(2)16(14,15)6-5-9-7(11)3-4-8(12)13/h3-6H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyUVGGVORTEJGEDI-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.14
Rot. Bonds7

About 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid

4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid (PubChem CID 106334792) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
PubChem CID106334792
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-10(2)16(14,15)6-5-9-7(11)3-4-8(12)13/h3-6H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyUVGGVORTEJGEDI-UHFFFAOYSA-N
XLogP-1.14
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic 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

2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
2-amino-N-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]acetamide
CID 114175259
4-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]heptanamide
CID 106337200
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
2-[4-[2-(dimethylsulfamoyl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 106341217
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106334798
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333131
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
CID 60952620

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid (CID 106334792) is 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid is CN(C)S(=O)(=O)CCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid?
The InChIKey is UVGGVORTEJGEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-10(2)16(14,15)6-5-9-7(11)3-4-8(12)13/h3-6H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid?
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid has a molecular weight of 252.29 g/mol, XLogP of -1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 106334792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).