1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole

C11H20N2O2S — CID 75433231

IUPAC1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole
SMILESCCCc1nccn1CC(C)CS(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-4-5-11-12-6-7-13(11)8-10(2)9-16(3,14)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeySEEZAHWCKCTQTD-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.52
Rot. Bonds6

About 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole

1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole (PubChem CID 75433231) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole
PubChem CID75433231
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole
SMILESCCCc1nccn1CC(C)CS(C)(=O)=O
InChIInChI=1S/C11H20N2O2S/c1-4-5-11-12-6-7-13(11)8-10(2)9-16(3,14)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeySEEZAHWCKCTQTD-UHFFFAOYSA-N
XLogP1.52
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.52
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-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
8-Ethylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739158
N,N-dimethyl-1-(8-propylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methanamine
CID 118743097
8-Propylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118743103
2-Hydroxyiminomethyl-3-methyl-1-(2'-methylsulfonylethyl)imidazolium chloride
CID 135906798

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole?
The IUPAC name of 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole (CID 75433231) is 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole.
What is the SMILES notation for 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole?
The canonical SMILES for 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole is CCCc1nccn1CC(C)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole?
The InChIKey is SEEZAHWCKCTQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-5-11-12-6-7-13(11)8-10(2)9-16(3,14)15/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole?
1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole has a molecular weight of 244.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylsulfonylpropyl)-2-propylimidazole is sourced from PubChem (CID 75433231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).