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

C12H22N2S2 — CID 136811874

IUPACN-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCCSC1CCCC1/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H22N2S2/c1-4-15-10-7-5-6-9(10)13-11-14-12(2,3)8-16-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyNILOVUFPTVYAMD-UHFFFAOYSA-N
MW258.46 g/mol
LogP3.13
Rot. Bonds3

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

N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 136811874) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID136811874
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCCSC1CCCC1/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H22N2S2/c1-4-15-10-7-5-6-9(10)13-11-14-12(2,3)8-16-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyNILOVUFPTVYAMD-UHFFFAOYSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.13
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-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 136811874) is N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is CCSC1CCCC1/N=C1/NC(C)(C)CS1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is NILOVUFPTVYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-4-15-10-7-5-6-9(10)13-11-14-12(2,3)8-16-11/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 258.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136811874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).