N-ethenylsulfonylprop-2-enamide

C5H7NO3S — CID 20538721

IUPACN-ethenylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)C=C
InChIInChI=1S/C5H7NO3S/c1-3-5(7)6-10(8,9)4-2/h3-4H,1-2H2,(H,6,7)
InChIKeyDZAAAMGPECXTHZ-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.24
Rot. Bonds3

About N-ethenylsulfonylprop-2-enamide

N-ethenylsulfonylprop-2-enamide (PubChem CID 20538721) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is N-ethenylsulfonylprop-2-enamide.

Molecular Properties

Compound NameN-ethenylsulfonylprop-2-enamide
PubChem CID20538721
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC NameN-ethenylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)C=C
InChIInChI=1S/C5H7NO3S/c1-3-5(7)6-10(8,9)4-2/h3-4H,1-2H2,(H,6,7)
InChIKeyDZAAAMGPECXTHZ-UHFFFAOYSA-N
XLogP-0.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
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 N-ethenylsulfonylprop-2-enamide?
The IUPAC name of N-ethenylsulfonylprop-2-enamide (CID 20538721) is N-ethenylsulfonylprop-2-enamide.
What is the SMILES notation for N-ethenylsulfonylprop-2-enamide?
The canonical SMILES for N-ethenylsulfonylprop-2-enamide is C=CC(=O)NS(=O)(=O)C=C.
What is the InChIKey of N-ethenylsulfonylprop-2-enamide?
The InChIKey is DZAAAMGPECXTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c1-3-5(7)6-10(8,9)4-2/h3-4H,1-2H2,(H,6,7).
What are the key properties of N-ethenylsulfonylprop-2-enamide?
N-ethenylsulfonylprop-2-enamide has a molecular weight of 161.18 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfonylprop-2-enamide is sourced from PubChem (CID 20538721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).