2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole

C8H16N2O2S2 — CID 5147623

IUPAC2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCC
InChIInChI=1S/C8H16N2O2S2/c1-3-7-14(11,12)10-6-5-9-8(10)13-4-2/h3-7H2,1-2H3
InChIKeyJMTIONJKAKMCQM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.15
Rot. Bonds4

About 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole

2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole (PubChem CID 5147623) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole
PubChem CID5147623
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SCC
InChIInChI=1S/C8H16N2O2S2/c1-3-7-14(11,12)10-6-5-9-8(10)13-4-2/h3-7H2,1-2H3
InChIKeyJMTIONJKAKMCQM-UHFFFAOYSA-N
XLogP1.15
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole (CID 5147623) is 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole is CCCS(=O)(=O)N1CCN=C1SCC.
What is the InChIKey of 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
The InChIKey is JMTIONJKAKMCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-3-7-14(11,12)10-6-5-9-8(10)13-4-2/h3-7H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole has a molecular weight of 236.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 5147623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).