2-(ethylsulfonylmethyl)-1-methylimidazole

C7H12N2O2S — CID 117187200

IUPAC2-(ethylsulfonylmethyl)-1-methylimidazole
SMILESCCS(=O)(=O)Cc1nccn1C
InChIInChI=1S/C7H12N2O2S/c1-3-12(10,11)6-7-8-4-5-9(7)2/h4-5H,3,6H2,1-2H3
InChIKeyPHBDCJIWOFBJOY-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.35
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1-methylimidazole

2-(ethylsulfonylmethyl)-1-methylimidazole (PubChem CID 117187200) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1-methylimidazole
PubChem CID117187200
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name2-(ethylsulfonylmethyl)-1-methylimidazole
SMILESCCS(=O)(=O)Cc1nccn1C
InChIInChI=1S/C7H12N2O2S/c1-3-12(10,11)6-7-8-4-5-9(7)2/h4-5H,3,6H2,1-2H3
InChIKeyPHBDCJIWOFBJOY-UHFFFAOYSA-N
XLogP0.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(fluoromethyl)-1-methylimidazole
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1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
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[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
methanamine;1-methyl-2-propylimidazole
CID 164902083
ethyl-[(1-methylimidazol-2-yl)methyl]azanium
CID 7147628
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495642
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1-methylimidazole?
The IUPAC name of 2-(ethylsulfonylmethyl)-1-methylimidazole (CID 117187200) is 2-(ethylsulfonylmethyl)-1-methylimidazole.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1-methylimidazole?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1-methylimidazole is CCS(=O)(=O)Cc1nccn1C.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1-methylimidazole?
The InChIKey is PHBDCJIWOFBJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-12(10,11)6-7-8-4-5-9(7)2/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1-methylimidazole?
2-(ethylsulfonylmethyl)-1-methylimidazole has a molecular weight of 188.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1-methylimidazole is sourced from PubChem (CID 117187200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).