1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole

C11H20N2O2S — CID 65097353

IUPAC1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
SMILESCCS(=O)(=O)CCCn1ccnc1C(C)C
InChIInChI=1S/C11H20N2O2S/c1-4-16(14,15)9-5-7-13-8-6-12-11(13)10(2)3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyQYSNJLFIWRZDGQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.83
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole

1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole (PubChem CID 65097353) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
PubChem CID65097353
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
SMILESCCS(=O)(=O)CCCn1ccnc1C(C)C
InChIInChI=1S/C11H20N2O2S/c1-4-16(14,15)9-5-7-13-8-6-12-11(13)10(2)3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyQYSNJLFIWRZDGQ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-2-propan-2-ylimidazole
CID 11506521
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65097886
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563
1-butylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494355
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
CID 106811445
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole (CID 65097353) is 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole is CCS(=O)(=O)CCCn1ccnc1C(C)C.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole?
The InChIKey is QYSNJLFIWRZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-4-16(14,15)9-5-7-13-8-6-12-11(13)10(2)3/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole?
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole has a molecular weight of 244.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 65097353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).