4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine

C9H18N2OS2 — CID 136948922

IUPAC4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC(C)S(C)=O)N1
InChIInChI=1S/C9H18N2OS2/c1-4-8-6-13-9(11-8)10-5-7(2)14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPFEDWGBQAGCDFC-UHFFFAOYSA-N
MW234.39 g/mol
LogP1.22
Rot. Bonds4

About 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine

4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 136948922) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine
PubChem CID136948922
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Name4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC(C)S(C)=O)N1
InChIInChI=1S/C9H18N2OS2/c1-4-8-6-13-9(11-8)10-5-7(2)14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPFEDWGBQAGCDFC-UHFFFAOYSA-N
XLogP1.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136933149
N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide
CID 135938395
4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998385
4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867396
4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine
CID 136933429
4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136817006
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
N,N-diethyl-3-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]propan-1-amine
CID 135934622
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine (CID 136948922) is 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CC(C)S(C)=O)N1.
What is the InChIKey of 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is PFEDWGBQAGCDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-4-8-6-13-9(11-8)10-5-7(2)14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 234.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136948922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).