2-ethenylsulfonyl-1-ethylimidazole

C7H10N2O2S — CID 62136967

IUPAC2-ethenylsulfonyl-1-ethylimidazole
SMILESC=CS(=O)(=O)c1nccn1CC
InChIInChI=1S/C7H10N2O2S/c1-3-9-6-5-8-7(9)12(10,11)4-2/h4-6H,2-3H2,1H3
InChIKeyPYDCMYDVHCRAOK-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.82
Rot. Bonds3

About 2-ethenylsulfonyl-1-ethylimidazole

2-ethenylsulfonyl-1-ethylimidazole (PubChem CID 62136967) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-ethenylsulfonyl-1-ethylimidazole.

Molecular Properties

Compound Name2-ethenylsulfonyl-1-ethylimidazole
PubChem CID62136967
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-ethenylsulfonyl-1-ethylimidazole
SMILESC=CS(=O)(=O)c1nccn1CC
InChIInChI=1S/C7H10N2O2S/c1-3-9-6-5-8-7(9)12(10,11)4-2/h4-6H,2-3H2,1H3
InChIKeyPYDCMYDVHCRAOK-UHFFFAOYSA-N
XLogP0.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylimidazole-2-sulfonic acid
CID 23092882
3-ethenylsulfonyl-1-propylpyrazin-2-one
CID 62928825
1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
1-ethyl-3-methylpyrazin-2-one
CID 90291055
1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
CID 159895967
2-[(1-ethylimidazol-2-yl)methoxy]but-3-ene-2-sulfonic acid
CID 175435591
4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 167853350
ethyl 1-(methylsulfonylmethyl)imidazole-2-carboxylate
CID 151215685
1-ethyl-2-propylimidazole;4-methylbenzenesulfonic acid
CID 175780532
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-1-ethylimidazole?
The IUPAC name of 2-ethenylsulfonyl-1-ethylimidazole (CID 62136967) is 2-ethenylsulfonyl-1-ethylimidazole.
What is the SMILES notation for 2-ethenylsulfonyl-1-ethylimidazole?
The canonical SMILES for 2-ethenylsulfonyl-1-ethylimidazole is C=CS(=O)(=O)c1nccn1CC.
What is the InChIKey of 2-ethenylsulfonyl-1-ethylimidazole?
The InChIKey is PYDCMYDVHCRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-9-6-5-8-7(9)12(10,11)4-2/h4-6H,2-3H2,1H3.
What are the key properties of 2-ethenylsulfonyl-1-ethylimidazole?
2-ethenylsulfonyl-1-ethylimidazole has a molecular weight of 186.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-1-ethylimidazole is sourced from PubChem (CID 62136967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).