N-methylsulfonylprop-2-enamide

C4H7NO3S — CID 20608054

IUPACN-methylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(C)(=O)=O
InChIInChI=1S/C4H7NO3S/c1-3-4(6)5-9(2,7)8/h3H,1H2,2H3,(H,5,6)
InChIKeyAPNDKEKNKSEOLY-UHFFFAOYSA-N
MW149.17 g/mol
LogP-0.75
Rot. Bonds2

About N-methylsulfonylprop-2-enamide

N-methylsulfonylprop-2-enamide (PubChem CID 20608054) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is N-methylsulfonylprop-2-enamide.

Molecular Properties

Compound NameN-methylsulfonylprop-2-enamide
PubChem CID20608054
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC NameN-methylsulfonylprop-2-enamide
SMILESC=CC(=O)NS(C)(=O)=O
InChIInChI=1S/C4H7NO3S/c1-3-4(6)5-9(2,7)8/h3H,1H2,2H3,(H,5,6)
InChIKeyAPNDKEKNKSEOLY-UHFFFAOYSA-N
XLogP-0.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.75
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-methylsulfonylprop-2-enamide?
The IUPAC name of N-methylsulfonylprop-2-enamide (CID 20608054) is N-methylsulfonylprop-2-enamide.
What is the SMILES notation for N-methylsulfonylprop-2-enamide?
The canonical SMILES for N-methylsulfonylprop-2-enamide is C=CC(=O)NS(C)(=O)=O.
What is the InChIKey of N-methylsulfonylprop-2-enamide?
The InChIKey is APNDKEKNKSEOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S/c1-3-4(6)5-9(2,7)8/h3H,1H2,2H3,(H,5,6).
What are the key properties of N-methylsulfonylprop-2-enamide?
N-methylsulfonylprop-2-enamide has a molecular weight of 149.17 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylprop-2-enamide is sourced from PubChem (CID 20608054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).