4-ethylsulfonyl-1,2-dimethylimidazole

C7H12N2O2S — CID 10511823

IUPAC4-ethylsulfonyl-1,2-dimethylimidazole
SMILESCCS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C7H12N2O2S/c1-4-12(10,11)7-5-9(3)6(2)8-7/h5H,4H2,1-3H3
InChIKeyREXODVISVFRERV-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.52
Rot. Bonds2

About 4-ethylsulfonyl-1,2-dimethylimidazole

4-ethylsulfonyl-1,2-dimethylimidazole (PubChem CID 10511823) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-ethylsulfonyl-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-ethylsulfonyl-1,2-dimethylimidazole
PubChem CID10511823
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name4-ethylsulfonyl-1,2-dimethylimidazole
SMILESCCS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C7H12N2O2S/c1-4-12(10,11)7-5-9(3)6(2)8-7/h5H,4H2,1-3H3
InChIKeyREXODVISVFRERV-UHFFFAOYSA-N
XLogP0.52
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1,2-dimethylimidazole?
The IUPAC name of 4-ethylsulfonyl-1,2-dimethylimidazole (CID 10511823) is 4-ethylsulfonyl-1,2-dimethylimidazole.
What is the SMILES notation for 4-ethylsulfonyl-1,2-dimethylimidazole?
The canonical SMILES for 4-ethylsulfonyl-1,2-dimethylimidazole is CCS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of 4-ethylsulfonyl-1,2-dimethylimidazole?
The InChIKey is REXODVISVFRERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-4-12(10,11)7-5-9(3)6(2)8-7/h5H,4H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1,2-dimethylimidazole?
4-ethylsulfonyl-1,2-dimethylimidazole has a molecular weight of 188.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1,2-dimethylimidazole is sourced from PubChem (CID 10511823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).