1-methylsulfonylimidazole

C4H6N2O2S — CID 521009

IUPAC1-methylsulfonylimidazole
SMILESCS(=O)(=O)n1ccnc1
InChIInChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3
InChIKeyZBHRCOWHFHJZFP-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.31
Rot. Bonds1

About 1-methylsulfonylimidazole

1-methylsulfonylimidazole (PubChem CID 521009) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 1-methylsulfonylimidazole.

Molecular Properties

Compound Name1-methylsulfonylimidazole
PubChem CID521009
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name1-methylsulfonylimidazole
SMILESCS(=O)(=O)n1ccnc1
InChIInChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3
InChIKeyZBHRCOWHFHJZFP-UHFFFAOYSA-N
XLogP-0.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylimidazole?
The IUPAC name of 1-methylsulfonylimidazole (CID 521009) is 1-methylsulfonylimidazole.
What is the SMILES notation for 1-methylsulfonylimidazole?
The canonical SMILES for 1-methylsulfonylimidazole is CS(=O)(=O)n1ccnc1.
What is the InChIKey of 1-methylsulfonylimidazole?
The InChIKey is ZBHRCOWHFHJZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3.
What are the key properties of 1-methylsulfonylimidazole?
1-methylsulfonylimidazole has a molecular weight of 146.17 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylimidazole is sourced from PubChem (CID 521009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).