4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine

C8H16N2OS2 — CID 137011046

IUPAC4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine
SMILESCS(=O)CC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C8H16N2OS2/c1-8(2)6-12-7(10-8)9-4-5-13(3)11/h4-6H2,1-3H3,(H,9,10)
InChIKeyHROPTMRZOUFPHK-UHFFFAOYSA-N
MW220.36 g/mol
LogP0.84
Rot. Bonds3

About 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine (PubChem CID 137011046) has the molecular formula C8H16N2OS2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine
PubChem CID137011046
Molecular FormulaC8H16N2OS2
Molecular Weight220.36 g/mol
Exact Mass220.07
IUPAC Name4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine
SMILESCS(=O)CC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C8H16N2OS2/c1-8(2)6-12-7(10-8)9-4-5-13(3)11/h4-6H2,1-3H3,(H,9,10)
InChIKeyHROPTMRZOUFPHK-UHFFFAOYSA-N
XLogP0.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine (CID 137011046) is 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine is CS(=O)CC/N=C1/NC(C)(C)CS1.
What is the InChIKey of 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine?
The InChIKey is HROPTMRZOUFPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS2/c1-8(2)6-12-7(10-8)9-4-5-13(3)11/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine has a molecular weight of 220.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137011046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).