2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole

C10H18N2O2S — CID 117188566

IUPAC2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole
SMILESCCS(=O)(=O)Cc1ncc(C)n1C(C)C
InChIInChI=1S/C10H18N2O2S/c1-5-15(13,14)7-10-11-6-9(4)12(10)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyUWVFRTMAMSTWFJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.71
Rot. Bonds4

About 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole

2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole (PubChem CID 117188566) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole
PubChem CID117188566
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole
SMILESCCS(=O)(=O)Cc1ncc(C)n1C(C)C
InChIInChI=1S/C10H18N2O2S/c1-5-15(13,14)7-10-11-6-9(4)12(10)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyUWVFRTMAMSTWFJ-UHFFFAOYSA-N
XLogP1.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole
CID 117190628
5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188585
4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188539
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117188344
ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate
CID 132917607
2-(ethylsulfonylmethyl)-1-methylimidazole
CID 117187200
N-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 91923972
(5-bromo-1-propan-2-ylimidazol-2-yl)methanethiol
CID 117188805
5-bromo-1-propan-2-yl-2-propylimidazole
CID 117259416
2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole
CID 117187900
2-(1-heptan-2-yl-5-methylimidazol-2-yl)sulfanylacetic acid
CID 81337398
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
CID 117192971

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole (CID 117188566) is 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole is CCS(=O)(=O)Cc1ncc(C)n1C(C)C.
What is the InChIKey of 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole?
The InChIKey is UWVFRTMAMSTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-5-15(13,14)7-10-11-6-9(4)12(10)8(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole?
2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole has a molecular weight of 230.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117188566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).