1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione

C13H24N2OS — CID 4578430

IUPAC1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione
SMILESCCOC1NC(=S)N(C2CCCCC2)C1(C)C
InChIInChI=1S/C13H24N2OS/c1-4-16-11-13(2,3)15(12(17)14-11)10-8-6-5-7-9-10/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyMGJPKEYEBPUZCD-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.65
Rot. Bonds3

About 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione

1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione (PubChem CID 4578430) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione.

Molecular Properties

Compound Name1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione
PubChem CID4578430
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione
SMILESCCOC1NC(=S)N(C2CCCCC2)C1(C)C
InChIInChI=1S/C13H24N2OS/c1-4-16-11-13(2,3)15(12(17)14-11)10-8-6-5-7-9-10/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyMGJPKEYEBPUZCD-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione?
The IUPAC name of 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione (CID 4578430) is 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione.
What is the SMILES notation for 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione?
The canonical SMILES for 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione is CCOC1NC(=S)N(C2CCCCC2)C1(C)C.
What is the InChIKey of 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione?
The InChIKey is MGJPKEYEBPUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-16-11-13(2,3)15(12(17)14-11)10-8-6-5-7-9-10/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione?
1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione has a molecular weight of 256.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione is sourced from PubChem (CID 4578430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).