3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane

C23H42N2O2S — CID 143034748

IUPAC3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane
SMILESCC.CC1=CCC(C)(O)C=CC1.CCC.O=C1CNC(=S)N1C1CCCCC1
InChIInChI=1S/C9H14N2OS.C9H14O.C3H8.C2H6/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7;1-8-4-3-6-9(2,10)7-5-8;1-3-2;1-2/h7H,1-6H2,(H,10,13);3,5-6,10H,4,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyXLAOCKIDNXNTGA-UHFFFAOYSA-N
MW410.67 g/mol
LogP5.51
Rot. Bonds1

About 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane

3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane (PubChem CID 143034748) has the molecular formula C23H42N2O2S and a molecular weight of 410.67 g/mol. Its IUPAC name is 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane.

Molecular Properties

Compound Name3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane
PubChem CID143034748
Molecular FormulaC23H42N2O2S
Molecular Weight410.67 g/mol
Exact Mass410.30
IUPAC Name3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane
SMILESCC.CC1=CCC(C)(O)C=CC1.CCC.O=C1CNC(=S)N1C1CCCCC1
InChIInChI=1S/C9H14N2OS.C9H14O.C3H8.C2H6/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7;1-8-4-3-6-9(2,10)7-5-8;1-3-2;1-2/h7H,1-6H2,(H,10,13);3,5-6,10H,4,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyXLAOCKIDNXNTGA-UHFFFAOYSA-N
XLogP5.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane?
The IUPAC name of 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane (CID 143034748) is 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane.
What is the SMILES notation for 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane?
The canonical SMILES for 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane is CC.CC1=CCC(C)(O)C=CC1.CCC.O=C1CNC(=S)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane?
The InChIKey is XLAOCKIDNXNTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.C9H14O.C3H8.C2H6/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7;1-8-4-3-6-9(2,10)7-5-8;1-3-2;1-2/h7H,1-6H2,(H,10,13);3,5-6,10H,4,7H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane?
3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane has a molecular weight of 410.67 g/mol, XLogP of 5.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane is sourced from PubChem (CID 143034748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).