2-butyl-1-(3-methylsulfonylpropyl)imidazole

C11H20N2O2S — CID 69265529

IUPAC2-butyl-1-(3-methylsulfonylpropyl)imidazole
SMILESCCCCc1nccn1CCCS(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-3-4-6-11-12-7-9-13(11)8-5-10-16(2,14)15/h7,9H,3-6,8,10H2,1-2H3
InChIKeyCFTOEPMWGVRIOZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds7

About 2-butyl-1-(3-methylsulfonylpropyl)imidazole

2-butyl-1-(3-methylsulfonylpropyl)imidazole (PubChem CID 69265529) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-butyl-1-(3-methylsulfonylpropyl)imidazole.

Molecular Properties

Compound Name2-butyl-1-(3-methylsulfonylpropyl)imidazole
PubChem CID69265529
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-butyl-1-(3-methylsulfonylpropyl)imidazole
SMILESCCCCc1nccn1CCCS(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-3-4-6-11-12-7-9-13(11)8-5-10-16(2,14)15/h7,9H,3-6,8,10H2,1-2H3
InChIKeyCFTOEPMWGVRIOZ-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

1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate
CID 2734247
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-(4-Sulfobutyl)-3-methylimidazolium hydrogen sulfate
CID 11290044
1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
1-(8-Methanesulfinyl-octyl)-1H-imidazole
CID 12870534
1-(8-Methylsulfanyloctyl)imidazole
CID 12870533
6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
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-(3-methylsulfonylpropyl)imidazole?
The IUPAC name of 2-butyl-1-(3-methylsulfonylpropyl)imidazole (CID 69265529) is 2-butyl-1-(3-methylsulfonylpropyl)imidazole.
What is the SMILES notation for 2-butyl-1-(3-methylsulfonylpropyl)imidazole?
The canonical SMILES for 2-butyl-1-(3-methylsulfonylpropyl)imidazole is CCCCc1nccn1CCCS(C)(=O)=O.
What is the InChIKey of 2-butyl-1-(3-methylsulfonylpropyl)imidazole?
The InChIKey is CFTOEPMWGVRIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-4-6-11-12-7-9-13(11)8-5-10-16(2,14)15/h7,9H,3-6,8,10H2,1-2H3.
What are the key properties of 2-butyl-1-(3-methylsulfonylpropyl)imidazole?
2-butyl-1-(3-methylsulfonylpropyl)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-(3-methylsulfonylpropyl)imidazole is sourced from PubChem (CID 69265529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).