2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid

C8H16N2O4S — CID 114806587

IUPAC2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NCCC
InChIInChI=1S/C8H16N2O4S/c1-3-5-9-15(13,14)10(6-4-2)7-8(11)12/h4,9H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyOSTSBIWHTFBCFV-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.20
Rot. Bonds8

About 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid

2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid (PubChem CID 114806587) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid
PubChem CID114806587
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NCCC
InChIInChI=1S/C8H16N2O4S/c1-3-5-9-15(13,14)10(6-4-2)7-8(11)12/h4,9H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyOSTSBIWHTFBCFV-UHFFFAOYSA-N
XLogP-0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[prop-2-enyl(propylsulfamoyl)amino]acetic 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 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid (CID 114806587) is 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)NCCC.
What is the InChIKey of 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid?
The InChIKey is OSTSBIWHTFBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-3-5-9-15(13,14)10(6-4-2)7-8(11)12/h4,9H,2-3,5-7H2,1H3,(H,11,12).
What are the key properties of 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid?
2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(propylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 114806587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).