3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid

C7H12N2O4S — CID 28774352

IUPAC3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(CCC#N)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H12N2O4S/c1-9(5-2-4-8)14(12,13)6-3-7(10)11/h2-3,5-6H2,1H3,(H,10,11)
InChIKeyQIIZYEVMEPWEGD-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.36
Rot. Bonds6

About 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid

3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid (PubChem CID 28774352) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid
PubChem CID28774352
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(CCC#N)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H12N2O4S/c1-9(5-2-4-8)14(12,13)6-3-7(10)11/h2-3,5-6H2,1H3,(H,10,11)
InChIKeyQIIZYEVMEPWEGD-UHFFFAOYSA-N
XLogP-0.36
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid (CID 28774352) is 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid is CN(CCC#N)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is QIIZYEVMEPWEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-9(5-2-4-8)14(12,13)6-3-7(10)11/h2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid?
3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 220.25 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 28774352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).