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

C9H18N2OS2 — CID 136871888

IUPACN-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCS(C)=O)N1
InChIInChI=1S/C9H18N2OS2/c1-7(2)8-6-13-9(11-8)10-4-5-14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyFEFIJBPUEWVVAB-UHFFFAOYSA-N
MW234.39 g/mol
LogP1.08
Rot. Bonds4

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

N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871888) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871888
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC NameN-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCS(C)=O)N1
InChIInChI=1S/C9H18N2OS2/c1-7(2)8-6-13-9(11-8)10-4-5-14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyFEFIJBPUEWVVAB-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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 N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871888) is N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\CCS(C)=O)N1.
What is the InChIKey of N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is FEFIJBPUEWVVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-7(2)8-6-13-9(11-8)10-4-5-14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 234.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).