2-(propylsulfamoyl)prop-2-enamide

C6H12N2O3S — CID 154229911

IUPAC2-(propylsulfamoyl)prop-2-enamide
SMILESC=C(C(N)=O)S(=O)(=O)NCCC
InChIInChI=1S/C6H12N2O3S/c1-3-4-8-12(10,11)5(2)6(7)9/h8H,2-4H2,1H3,(H2,7,9)
InChIKeyRTPMDOVSKDVFFE-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.69
Rot. Bonds5

About 2-(propylsulfamoyl)prop-2-enamide

2-(propylsulfamoyl)prop-2-enamide (PubChem CID 154229911) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(propylsulfamoyl)prop-2-enamide.

Molecular Properties

Compound Name2-(propylsulfamoyl)prop-2-enamide
PubChem CID154229911
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-(propylsulfamoyl)prop-2-enamide
SMILESC=C(C(N)=O)S(=O)(=O)NCCC
InChIInChI=1S/C6H12N2O3S/c1-3-4-8-12(10,11)5(2)6(7)9/h8H,2-4H2,1H3,(H2,7,9)
InChIKeyRTPMDOVSKDVFFE-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
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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Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfamoyl)prop-2-enamide?
The IUPAC name of 2-(propylsulfamoyl)prop-2-enamide (CID 154229911) is 2-(propylsulfamoyl)prop-2-enamide.
What is the SMILES notation for 2-(propylsulfamoyl)prop-2-enamide?
The canonical SMILES for 2-(propylsulfamoyl)prop-2-enamide is C=C(C(N)=O)S(=O)(=O)NCCC.
What is the InChIKey of 2-(propylsulfamoyl)prop-2-enamide?
The InChIKey is RTPMDOVSKDVFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-3-4-8-12(10,11)5(2)6(7)9/h8H,2-4H2,1H3,(H2,7,9).
What are the key properties of 2-(propylsulfamoyl)prop-2-enamide?
2-(propylsulfamoyl)prop-2-enamide has a molecular weight of 192.24 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfamoyl)prop-2-enamide is sourced from PubChem (CID 154229911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).