1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole

C12H16N2O2S2 — CID 106731651

IUPAC1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
SMILESCC(C)S(=O)(=O)CCn1ccnc1-c1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-10(2)18(15,16)9-7-14-6-5-13-12(14)11-4-3-8-17-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyRLKJLGXEOWMQTL-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.43
Rot. Bonds5

About 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole

1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole (PubChem CID 106731651) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
PubChem CID106731651
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
SMILESCC(C)S(=O)(=O)CCn1ccnc1-c1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-10(2)18(15,16)9-7-14-6-5-13-12(14)11-4-3-8-17-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyRLKJLGXEOWMQTL-UHFFFAOYSA-N
XLogP2.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 116621555
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
CID 116621663
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole
CID 103857951
2,2-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanenitrile
CID 65256857

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole (CID 106731651) is 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole is CC(C)S(=O)(=O)CCn1ccnc1-c1cccs1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole?
The InChIKey is RLKJLGXEOWMQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-10(2)18(15,16)9-7-14-6-5-13-12(14)11-4-3-8-17-11/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole?
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole has a molecular weight of 284.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 106731651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).