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

C7H14N2O2S2 — CID 3613447

IUPAC2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SC
InChIInChI=1S/C7H14N2O2S2/c1-3-6-13(10,11)9-5-4-8-7(9)12-2/h3-6H2,1-2H3
InChIKeyGUSODHYHTCUVJK-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.76
Rot. Bonds3

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

2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole (PubChem CID 3613447) has the molecular formula C7H14N2O2S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole
PubChem CID3613447
Molecular FormulaC7H14N2O2S2
Molecular Weight222.33 g/mol
Exact Mass222.05
IUPAC Name2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole
SMILESCCCS(=O)(=O)N1CCN=C1SC
InChIInChI=1S/C7H14N2O2S2/c1-3-6-13(10,11)9-5-4-8-7(9)12-2/h3-6H2,1-2H3
InChIKeyGUSODHYHTCUVJK-UHFFFAOYSA-N
XLogP0.76
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole (CID 3613447) is 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole is CCCS(=O)(=O)N1CCN=C1SC.
What is the InChIKey of 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
The InChIKey is GUSODHYHTCUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S2/c1-3-6-13(10,11)9-5-4-8-7(9)12-2/h3-6H2,1-2H3.
What are the key properties of 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole?
2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole has a molecular weight of 222.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-propylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 3613447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).