N-ethylsulfonyl-N-methylprop-2-enamide

C6H11NO3S — CID 148776379

IUPACN-ethylsulfonyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)S(=O)(=O)CC
InChIInChI=1S/C6H11NO3S/c1-4-6(8)7(3)11(9,10)5-2/h4H,1,5H2,2-3H3
InChIKeyOJLHTOAOTCUVRY-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.02
Rot. Bonds3

About N-ethylsulfonyl-N-methylprop-2-enamide

N-ethylsulfonyl-N-methylprop-2-enamide (PubChem CID 148776379) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-ethylsulfonyl-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethylsulfonyl-N-methylprop-2-enamide
PubChem CID148776379
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-ethylsulfonyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)S(=O)(=O)CC
InChIInChI=1S/C6H11NO3S/c1-4-6(8)7(3)11(9,10)5-2/h4H,1,5H2,2-3H3
InChIKeyOJLHTOAOTCUVRY-UHFFFAOYSA-N
XLogP-0.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethylsulfonyl-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
2-[methyl(prop-2-enoyl)amino]propane-1-sulfonic acid
CID 23496741
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N-ethyl-N-hydroxyprop-2-enamide
CID 19022461
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
CID 58422062
CID 58422062
N'-butyl-N-methylprop-2-enehydrazide
CID 87504595
N,N',N'-tripropylprop-2-enehydrazide
CID 87503910
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
N-ethyl-N-sulfanylprop-2-enamide
CID 154365527
N-prop-2-enoyl-N-propylpropanamide
CID 143653418

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-N-methylprop-2-enamide?
The IUPAC name of N-ethylsulfonyl-N-methylprop-2-enamide (CID 148776379) is N-ethylsulfonyl-N-methylprop-2-enamide.
What is the SMILES notation for N-ethylsulfonyl-N-methylprop-2-enamide?
The canonical SMILES for N-ethylsulfonyl-N-methylprop-2-enamide is C=CC(=O)N(C)S(=O)(=O)CC.
What is the InChIKey of N-ethylsulfonyl-N-methylprop-2-enamide?
The InChIKey is OJLHTOAOTCUVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-4-6(8)7(3)11(9,10)5-2/h4H,1,5H2,2-3H3.
What are the key properties of N-ethylsulfonyl-N-methylprop-2-enamide?
N-ethylsulfonyl-N-methylprop-2-enamide has a molecular weight of 177.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-N-methylprop-2-enamide is sourced from PubChem (CID 148776379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).