2-butyl-1-(2-propylsulfonylethyl)imidazole

C12H22N2O2S — CID 69088697

IUPAC2-butyl-1-(2-propylsulfonylethyl)imidazole
SMILESCCCCc1nccn1CCS(=O)(=O)CCC
InChIInChI=1S/C12H22N2O2S/c1-3-5-6-12-13-7-8-14(12)9-11-17(15,16)10-4-2/h7-8H,3-6,9-11H2,1-2H3
InChIKeyHHZFMENCBCCMEK-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.05
Rot. Bonds8

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

2-butyl-1-(2-propylsulfonylethyl)imidazole (PubChem CID 69088697) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-butyl-1-(2-propylsulfonylethyl)imidazole.

Molecular Properties

Compound Name2-butyl-1-(2-propylsulfonylethyl)imidazole
PubChem CID69088697
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-butyl-1-(2-propylsulfonylethyl)imidazole
SMILESCCCCc1nccn1CCS(=O)(=O)CCC
InChIInChI=1S/C12H22N2O2S/c1-3-5-6-12-13-7-8-14(12)9-11-17(15,16)10-4-2/h7-8H,3-6,9-11H2,1-2H3
InChIKeyHHZFMENCBCCMEK-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
(NE)-N-[[1-ethyl-3-(3-methylsulfonylpropyl)imidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002051
(NE)-N-[[1-(2-ethylsulfonylethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136002075

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-propylsulfonylethyl)imidazole?
The IUPAC name of 2-butyl-1-(2-propylsulfonylethyl)imidazole (CID 69088697) is 2-butyl-1-(2-propylsulfonylethyl)imidazole.
What is the SMILES notation for 2-butyl-1-(2-propylsulfonylethyl)imidazole?
The canonical SMILES for 2-butyl-1-(2-propylsulfonylethyl)imidazole is CCCCc1nccn1CCS(=O)(=O)CCC.
What is the InChIKey of 2-butyl-1-(2-propylsulfonylethyl)imidazole?
The InChIKey is HHZFMENCBCCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-5-6-12-13-7-8-14(12)9-11-17(15,16)10-4-2/h7-8H,3-6,9-11H2,1-2H3.
What are the key properties of 2-butyl-1-(2-propylsulfonylethyl)imidazole?
2-butyl-1-(2-propylsulfonylethyl)imidazole has a molecular weight of 258.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-propylsulfonylethyl)imidazole is sourced from PubChem (CID 69088697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).