1-(2-ethoxyethyl)-2-methylsulfonylimidazole

C8H14N2O3S — CID 71984550

IUPAC1-(2-ethoxyethyl)-2-methylsulfonylimidazole
SMILESCCOCCn1ccnc1S(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-3-13-7-6-10-5-4-9-8(10)14(2,11)12/h4-5H,3,6-7H2,1-2H3
InChIKeyLTFRWNMESWREIB-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.32
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-methylsulfonylimidazole

1-(2-ethoxyethyl)-2-methylsulfonylimidazole (PubChem CID 71984550) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methylsulfonylimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methylsulfonylimidazole
PubChem CID71984550
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-(2-ethoxyethyl)-2-methylsulfonylimidazole
SMILESCCOCCn1ccnc1S(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-3-13-7-6-10-5-4-9-8(10)14(2,11)12/h4-5H,3,6-7H2,1-2H3
InChIKeyLTFRWNMESWREIB-UHFFFAOYSA-N
XLogP0.32
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Nsc-747123
CID 12040511
1H-Imidazole-2-sulfonamide, 1-methyl-N-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3071459
1-Methyl-2-methylsulfinyl-imidazole
CID 3009058
1-Methyl-2-methylsulfonylimidazole
CID 333160
1-(2-Methoxyethyl)-3-methylimidazolium trifluoromethanesulfonate
CID 87421741
1-(2-Propoxyethyl)imidazole
CID 22409062
1-(2-Methoxyethyl)-3-methylimidazolinium methanesulfonate
CID 25098539
(1-Ethyl-3-methylimidazol-3-ium-2-yl) methanesulfonate
CID 57483573
Methanesulfonate;2-(3-methylimidazol-3-ium-1-yl)ethanol
CID 87455817
1-Methoxyethyl-3-methylimidazolium methanesulfonate
CID 87482091
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide
CID 3071458
1-methyl-N-(2-morpholin-4-ylethyl)imidazole-2-sulfonamide
CID 3071460

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methylsulfonylimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-methylsulfonylimidazole (CID 71984550) is 1-(2-ethoxyethyl)-2-methylsulfonylimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methylsulfonylimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methylsulfonylimidazole is CCOCCn1ccnc1S(C)(=O)=O.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methylsulfonylimidazole?
The InChIKey is LTFRWNMESWREIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-13-7-6-10-5-4-9-8(10)14(2,11)12/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-methylsulfonylimidazole?
1-(2-ethoxyethyl)-2-methylsulfonylimidazole has a molecular weight of 218.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methylsulfonylimidazole is sourced from PubChem (CID 71984550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).