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

C12H22N2OS — CID 135998331

IUPACN-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCOC2CCCC2)N1
InChIInChI=1S/C12H22N2OS/c1-12(2)9-16-11(14-12)13-7-8-15-10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyQQSYOLPALUXBQF-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.42
Rot. Bonds4

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

N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 135998331) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID135998331
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCOC2CCCC2)N1
InChIInChI=1S/C12H22N2OS/c1-12(2)9-16-11(14-12)13-7-8-15-10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyQQSYOLPALUXBQF-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 135998331) is N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CCOC2CCCC2)N1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is QQSYOLPALUXBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(2)9-16-11(14-12)13-7-8-15-10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 242.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135998331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).