2-(methylsulfamoyl)but-2-enamide

C5H10N2O3S — CID 76605667

IUPAC2-(methylsulfamoyl)but-2-enamide
SMILESCC=C(C(N)=O)S(=O)(=O)NC
InChIInChI=1S/C5H10N2O3S/c1-3-4(5(6)8)11(9,10)7-2/h3,7H,1-2H3,(H2,6,8)
InChIKeyPWTJTSDIAOQLCX-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.08
Rot. Bonds3

About 2-(methylsulfamoyl)but-2-enamide

2-(methylsulfamoyl)but-2-enamide (PubChem CID 76605667) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(methylsulfamoyl)but-2-enamide.

Molecular Properties

Compound Name2-(methylsulfamoyl)but-2-enamide
PubChem CID76605667
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name2-(methylsulfamoyl)but-2-enamide
SMILESCC=C(C(N)=O)S(=O)(=O)NC
InChIInChI=1S/C5H10N2O3S/c1-3-4(5(6)8)11(9,10)7-2/h3,7H,1-2H3,(H2,6,8)
InChIKeyPWTJTSDIAOQLCX-UHFFFAOYSA-N
XLogP-1.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(methylsulfamoyl)but-2-enamide
CID 57789439
2-(Propylsulfamoyl)prop-2-enamide
CID 154229911
2-(Butylsulfamoyl)prop-2-enamide
CID 154372421
2-(Dimethylsulfamoyl)prop-2-enamide
CID 168726611
(E)-4-amino-N-methylsulfonylbut-2-enamide
CID 130533357

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoyl)but-2-enamide?
The IUPAC name of 2-(methylsulfamoyl)but-2-enamide (CID 76605667) is 2-(methylsulfamoyl)but-2-enamide.
What is the SMILES notation for 2-(methylsulfamoyl)but-2-enamide?
The canonical SMILES for 2-(methylsulfamoyl)but-2-enamide is CC=C(C(N)=O)S(=O)(=O)NC.
What is the InChIKey of 2-(methylsulfamoyl)but-2-enamide?
The InChIKey is PWTJTSDIAOQLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-3-4(5(6)8)11(9,10)7-2/h3,7H,1-2H3,(H2,6,8).
What are the key properties of 2-(methylsulfamoyl)but-2-enamide?
2-(methylsulfamoyl)but-2-enamide has a molecular weight of 178.21 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoyl)but-2-enamide is sourced from PubChem (CID 76605667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).