4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid

C8H14N2O4S — CID 28774354

IUPAC4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(CCC#N)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H14N2O4S/c1-10(6-3-5-9)15(13,14)7-2-4-8(11)12/h2-4,6-7H2,1H3,(H,11,12)
InChIKeyWINOLMFFDKIERI-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.03
Rot. Bonds7

About 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid

4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid (PubChem CID 28774354) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid
PubChem CID28774354
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(CCC#N)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H14N2O4S/c1-10(6-3-5-9)15(13,14)7-2-4-8(11)12/h2-4,6-7H2,1H3,(H,11,12)
InChIKeyWINOLMFFDKIERI-UHFFFAOYSA-N
XLogP0.03
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid (CID 28774354) is 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid is CN(CCC#N)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is WINOLMFFDKIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-10(6-3-5-9)15(13,14)7-2-4-8(11)12/h2-4,6-7H2,1H3,(H,11,12).
What are the key properties of 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid?
4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 234.28 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyanoethyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28774354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).