1-ethylsulfonyl-4,5-dihydroimidazole

C5H10N2O2S — CID 67938859

IUPAC1-ethylsulfonyl-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1C=NCC1
InChIInChI=1S/C5H10N2O2S/c1-2-10(8,9)7-4-3-6-5-7/h5H,2-4H2,1H3
InChIKeyQCTUHNPHNCLWSP-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.32
Rot. Bonds2

About 1-ethylsulfonyl-4,5-dihydroimidazole

1-ethylsulfonyl-4,5-dihydroimidazole (PubChem CID 67938859) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-ethylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethylsulfonyl-4,5-dihydroimidazole
PubChem CID67938859
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name1-ethylsulfonyl-4,5-dihydroimidazole
SMILESCCS(=O)(=O)N1C=NCC1
InChIInChI=1S/C5H10N2O2S/c1-2-10(8,9)7-4-3-6-5-7/h5H,2-4H2,1H3
InChIKeyQCTUHNPHNCLWSP-UHFFFAOYSA-N
XLogP-0.32
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 1-ethylsulfonyl-4,5-dihydroimidazole (CID 67938859) is 1-ethylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 1-ethylsulfonyl-4,5-dihydroimidazole is CCS(=O)(=O)N1C=NCC1.
What is the InChIKey of 1-ethylsulfonyl-4,5-dihydroimidazole?
The InChIKey is QCTUHNPHNCLWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-2-10(8,9)7-4-3-6-5-7/h5H,2-4H2,1H3.
What are the key properties of 1-ethylsulfonyl-4,5-dihydroimidazole?
1-ethylsulfonyl-4,5-dihydroimidazole has a molecular weight of 162.21 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 67938859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).