2-butyl-1-(2-ethylsulfonylethyl)imidazole

C11H20N2O2S — CID 91416946

IUPAC2-butyl-1-(2-ethylsulfonylethyl)imidazole
SMILESCCCCc1nccn1CCS(=O)(=O)CC
InChIInChI=1S/C11H20N2O2S/c1-3-5-6-11-12-7-8-13(11)9-10-16(14,15)4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyYWVUBGKFOQVGAR-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds7

About 2-butyl-1-(2-ethylsulfonylethyl)imidazole

2-butyl-1-(2-ethylsulfonylethyl)imidazole (PubChem CID 91416946) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-butyl-1-(2-ethylsulfonylethyl)imidazole.

Molecular Properties

Compound Name2-butyl-1-(2-ethylsulfonylethyl)imidazole
PubChem CID91416946
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-butyl-1-(2-ethylsulfonylethyl)imidazole
SMILESCCCCc1nccn1CCS(=O)(=O)CC
InChIInChI=1S/C11H20N2O2S/c1-3-5-6-11-12-7-8-13(11)9-10-16(14,15)4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyYWVUBGKFOQVGAR-UHFFFAOYSA-N
XLogP1.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-(4-Sulfobutyl)-3-methylimidazolium hydrogen sulfate
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1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
1-(8-Methanesulfinyl-octyl)-1H-imidazole
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6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 53620653
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
2-Hydroxyiminomethyl-3-methyl-1-(2'-methylsulfonylethyl)imidazolium chloride
CID 135906798
(NE)-N-[[1-methyl-3-(3-methylsulfonylpropyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002006
(NE)-N-[[1-methyl-3-(4-methylsulfonylbutyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002038

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-ethylsulfonylethyl)imidazole?
The IUPAC name of 2-butyl-1-(2-ethylsulfonylethyl)imidazole (CID 91416946) is 2-butyl-1-(2-ethylsulfonylethyl)imidazole.
What is the SMILES notation for 2-butyl-1-(2-ethylsulfonylethyl)imidazole?
The canonical SMILES for 2-butyl-1-(2-ethylsulfonylethyl)imidazole is CCCCc1nccn1CCS(=O)(=O)CC.
What is the InChIKey of 2-butyl-1-(2-ethylsulfonylethyl)imidazole?
The InChIKey is YWVUBGKFOQVGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-5-6-11-12-7-8-13(11)9-10-16(14,15)4-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-butyl-1-(2-ethylsulfonylethyl)imidazole?
2-butyl-1-(2-ethylsulfonylethyl)imidazole has a molecular weight of 244.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-ethylsulfonylethyl)imidazole is sourced from PubChem (CID 91416946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).