1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole

C10H12N2O2S2 — CID 75432637

IUPAC1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
SMILESCS(=O)(=O)CCn1ccnc1-c1cccs1
InChIInChI=1S/C10H12N2O2S2/c1-16(13,14)8-6-12-5-4-11-10(12)9-3-2-7-15-9/h2-5,7H,6,8H2,1H3
InChIKeyVEWFIDVEQNQEMS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole

1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole (PubChem CID 75432637) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
PubChem CID75432637
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
SMILESCS(=O)(=O)CCn1ccnc1-c1cccs1
InChIInChI=1S/C10H12N2O2S2/c1-16(13,14)8-6-12-5-4-11-10(12)9-3-2-7-15-9/h2-5,7H,6,8H2,1H3
InChIKeyVEWFIDVEQNQEMS-UHFFFAOYSA-N
XLogP1.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole (CID 75432637) is 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole is CS(=O)(=O)CCn1ccnc1-c1cccs1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole?
The InChIKey is VEWFIDVEQNQEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-16(13,14)8-6-12-5-4-11-10(12)9-3-2-7-15-9/h2-5,7H,6,8H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole?
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole has a molecular weight of 256.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 75432637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).