2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole

C10H12N2O2S2 — CID 82132226

IUPAC2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
SMILESCS(=O)(=O)c1nccn1CCc1cccs1
InChIInChI=1S/C10H12N2O2S2/c1-16(13,14)10-11-5-7-12(10)6-4-9-3-2-8-15-9/h2-3,5,7-8H,4,6H2,1H3
InChIKeyKDNUKPJFJKCNNQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.59
Rot. Bonds4

About 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole

2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole (PubChem CID 82132226) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole.

Molecular Properties

Compound Name2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
PubChem CID82132226
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
SMILESCS(=O)(=O)c1nccn1CCc1cccs1
InChIInChI=1S/C10H12N2O2S2/c1-16(13,14)10-11-5-7-12(10)6-4-9-3-2-8-15-9/h2-3,5,7-8H,4,6H2,1H3
InChIKeyKDNUKPJFJKCNNQ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
CID 94691066
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol
CID 94691207
N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine
CID 94685401
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine
CID 86791784
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
1-propyl-3-(2-thiophen-2-ylethylamino)pyrazin-2-one
CID 62938256
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
CID 105116298
5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole?
The IUPAC name of 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole (CID 82132226) is 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole.
What is the SMILES notation for 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole?
The canonical SMILES for 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole is CS(=O)(=O)c1nccn1CCc1cccs1.
What is the InChIKey of 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole?
The InChIKey is KDNUKPJFJKCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-16(13,14)10-11-5-7-12(10)6-4-9-3-2-8-15-9/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole?
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole has a molecular weight of 256.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole is sourced from PubChem (CID 82132226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).