4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine

C13H26N2S — CID 163755414

IUPAC4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine
SMILESCCSCCC1(C2CCCCC2)CNCN1
InChIInChI=1S/C13H26N2S/c1-2-16-9-8-13(10-14-11-15-13)12-6-4-3-5-7-12/h12,14-15H,2-11H2,1H3
InChIKeyLTQCYHJIXGOXHY-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.60
Rot. Bonds5

About 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine

4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine (PubChem CID 163755414) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine.

Molecular Properties

Compound Name4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine
PubChem CID163755414
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine
SMILESCCSCCC1(C2CCCCC2)CNCN1
InChIInChI=1S/C13H26N2S/c1-2-16-9-8-13(10-14-11-15-13)12-6-4-3-5-7-12/h12,14-15H,2-11H2,1H3
InChIKeyLTQCYHJIXGOXHY-UHFFFAOYSA-N
XLogP2.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine?
The IUPAC name of 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine (CID 163755414) is 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine.
What is the SMILES notation for 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine?
The canonical SMILES for 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine is CCSCCC1(C2CCCCC2)CNCN1.
What is the InChIKey of 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine?
The InChIKey is LTQCYHJIXGOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-16-9-8-13(10-14-11-15-13)12-6-4-3-5-7-12/h12,14-15H,2-11H2,1H3.
What are the key properties of 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine?
4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine has a molecular weight of 242.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(2-ethylsulfanylethyl)imidazolidine is sourced from PubChem (CID 163755414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).