2-(ethylsulfonylmethyl)-1H-imidazole

C6H10N2O2S — CID 59155149

IUPAC2-(ethylsulfonylmethyl)-1H-imidazole
SMILESCCS(=O)(=O)Cc1ncc[nH]1
InChIInChI=1S/C6H10N2O2S/c1-2-11(9,10)5-6-7-3-4-8-6/h3-4H,2,5H2,1H3,(H,7,8)
InChIKeyHXXSSYRPGDPUGB-UHFFFAOYSA-N
MW174.23 g/mol
LogP0.34
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1H-imidazole

2-(ethylsulfonylmethyl)-1H-imidazole (PubChem CID 59155149) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1H-imidazole
PubChem CID59155149
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name2-(ethylsulfonylmethyl)-1H-imidazole
SMILESCCS(=O)(=O)Cc1ncc[nH]1
InChIInChI=1S/C6H10N2O2S/c1-2-11(9,10)5-6-7-3-4-8-6/h3-4H,2,5H2,1H3,(H,7,8)
InChIKeyHXXSSYRPGDPUGB-UHFFFAOYSA-N
XLogP0.34
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1H-imidazole?
The IUPAC name of 2-(ethylsulfonylmethyl)-1H-imidazole (CID 59155149) is 2-(ethylsulfonylmethyl)-1H-imidazole.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1H-imidazole?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1H-imidazole is CCS(=O)(=O)Cc1ncc[nH]1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1H-imidazole?
The InChIKey is HXXSSYRPGDPUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-11(9,10)5-6-7-3-4-8-6/h3-4H,2,5H2,1H3,(H,7,8).
What are the key properties of 2-(ethylsulfonylmethyl)-1H-imidazole?
2-(ethylsulfonylmethyl)-1H-imidazole has a molecular weight of 174.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1H-imidazole is sourced from PubChem (CID 59155149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).