2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid

C8H16N2O4S — CID 114806590

IUPAC2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NC(C)C
InChIInChI=1S/C8H16N2O4S/c1-4-5-10(6-8(11)12)15(13,14)9-7(2)3/h4,7,9H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyZIVZKTUCPASTLW-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.20
Rot. Bonds7

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

2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid (PubChem CID 114806590) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid
PubChem CID114806590
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)NC(C)C
InChIInChI=1S/C8H16N2O4S/c1-4-5-10(6-8(11)12)15(13,14)9-7(2)3/h4,7,9H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyZIVZKTUCPASTLW-UHFFFAOYSA-N
XLogP-0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid (CID 114806590) is 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)NC(C)C.
What is the InChIKey of 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is ZIVZKTUCPASTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-4-5-10(6-8(11)12)15(13,14)9-7(2)3/h4,7,9H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid?
2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-ylsulfamoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 114806590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).