N-(2-sulfamoylethyl)but-3-enamide

C6H12N2O3S — CID 62678920

IUPACN-(2-sulfamoylethyl)but-3-enamide
SMILESC=CCC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-2-3-6(9)8-4-5-12(7,10)11/h2H,1,3-5H2,(H,8,9)(H2,7,10,11)
InChIKeyBNCJYNJAMPAXKT-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.03
Rot. Bonds5

About N-(2-sulfamoylethyl)but-3-enamide

N-(2-sulfamoylethyl)but-3-enamide (PubChem CID 62678920) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)but-3-enamide
PubChem CID62678920
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-(2-sulfamoylethyl)but-3-enamide
SMILESC=CCC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-2-3-6(9)8-4-5-12(7,10)11/h2H,1,3-5H2,(H,8,9)(H2,7,10,11)
InChIKeyBNCJYNJAMPAXKT-UHFFFAOYSA-N
XLogP-1.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.03
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 N-(2-sulfamoylethyl)but-3-enamide?
The IUPAC name of N-(2-sulfamoylethyl)but-3-enamide (CID 62678920) is N-(2-sulfamoylethyl)but-3-enamide.
What is the SMILES notation for N-(2-sulfamoylethyl)but-3-enamide?
The canonical SMILES for N-(2-sulfamoylethyl)but-3-enamide is C=CCC(=O)NCCS(N)(=O)=O.
What is the InChIKey of N-(2-sulfamoylethyl)but-3-enamide?
The InChIKey is BNCJYNJAMPAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-2-3-6(9)8-4-5-12(7,10)11/h2H,1,3-5H2,(H,8,9)(H2,7,10,11).
What are the key properties of N-(2-sulfamoylethyl)but-3-enamide?
N-(2-sulfamoylethyl)but-3-enamide has a molecular weight of 192.24 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)but-3-enamide is sourced from PubChem (CID 62678920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).