2-ethyl-1-(4-ethylsulfonylbutyl)imidazole

C11H20N2O2S — CID 90891735

IUPAC2-ethyl-1-(4-ethylsulfonylbutyl)imidazole
SMILESCCc1nccn1CCCCS(=O)(=O)CC
InChIInChI=1S/C11H20N2O2S/c1-3-11-12-7-9-13(11)8-5-6-10-16(14,15)4-2/h7,9H,3-6,8,10H2,1-2H3
InChIKeyBPMIFESQDWUDCA-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds7

About 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole

2-ethyl-1-(4-ethylsulfonylbutyl)imidazole (PubChem CID 90891735) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylsulfonylbutyl)imidazole
PubChem CID90891735
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-ethyl-1-(4-ethylsulfonylbutyl)imidazole
SMILESCCc1nccn1CCCCS(=O)(=O)CC
InChIInChI=1S/C11H20N2O2S/c1-3-11-12-7-9-13(11)8-5-6-10-16(14,15)4-2/h7,9H,3-6,8,10H2,1-2H3
InChIKeyBPMIFESQDWUDCA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-(4-Sulfobutyl)-3-methylimidazolium hydrogen sulfate
CID 11290044
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CID 11475374
1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
1-(8-Methanesulfinyl-octyl)-1H-imidazole
CID 12870534
6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70771745
2-Hydroxyiminomethyl-3-methyl-1-(2'-methylsulfonylethyl)imidazolium chloride
CID 135906798
(NE)-N-[[1-(1-ethylsulfonylpropan-2-yloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136001971
(NE)-N-[[1-methyl-3-(3-methylsulfonylpropyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002006

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole?
The IUPAC name of 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole (CID 90891735) is 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole?
The canonical SMILES for 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole is CCc1nccn1CCCCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole?
The InChIKey is BPMIFESQDWUDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-11-12-7-9-13(11)8-5-6-10-16(14,15)4-2/h7,9H,3-6,8,10H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-ethylsulfonylbutyl)imidazole?
2-ethyl-1-(4-ethylsulfonylbutyl)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-ethyl-1-(4-ethylsulfonylbutyl)imidazole is sourced from PubChem (CID 90891735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).