1-(2-methylsulfonylethyl)imidazole

C6H10N2O2S — CID 60703961

IUPAC1-(2-methylsulfonylethyl)imidazole
SMILESCS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C6H10N2O2S/c1-11(9,10)5-4-8-3-2-7-6-8/h2-3,6H,4-5H2,1H3
InChIKeyZIEQNXSPUVEABU-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.07
Rot. Bonds3

About 1-(2-methylsulfonylethyl)imidazole

1-(2-methylsulfonylethyl)imidazole (PubChem CID 60703961) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)imidazole.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)imidazole
PubChem CID60703961
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name1-(2-methylsulfonylethyl)imidazole
SMILESCS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C6H10N2O2S/c1-11(9,10)5-4-8-3-2-7-6-8/h2-3,6H,4-5H2,1H3
InChIKeyZIEQNXSPUVEABU-UHFFFAOYSA-N
XLogP-0.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)imidazole?
The IUPAC name of 1-(2-methylsulfonylethyl)imidazole (CID 60703961) is 1-(2-methylsulfonylethyl)imidazole.
What is the SMILES notation for 1-(2-methylsulfonylethyl)imidazole?
The canonical SMILES for 1-(2-methylsulfonylethyl)imidazole is CS(=O)(=O)CCn1ccnc1.
What is the InChIKey of 1-(2-methylsulfonylethyl)imidazole?
The InChIKey is ZIEQNXSPUVEABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-11(9,10)5-4-8-3-2-7-6-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)imidazole?
1-(2-methylsulfonylethyl)imidazole has a molecular weight of 174.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)imidazole is sourced from PubChem (CID 60703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).