(R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide

C25H36N2O2S — CID 86668426

IUPAC(R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1
InChIInChI=1S/C25H36N2O2S/c1-17(27-30(28)25(5,6)7)22-14-8-18-16-21(13-15-23(18)26-22)29-20-11-9-19(10-12-20)24(2,3)4/h8,13-16,19-20H,9-12H2,1-7H3/t19?,20?,30-/m1/s1
InChIKeyNWZIUONRZMISTH-QLNAZMOJSA-N
MW428.64 g/mol
LogP6.49
Rot. Bonds4

About (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 86668426) has the molecular formula C25H36N2O2S and a molecular weight of 428.64 g/mol. Its IUPAC name is (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID86668426
Molecular FormulaC25H36N2O2S
Molecular Weight428.64 g/mol
Exact Mass428.25
IUPAC Name(R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1
InChIInChI=1S/C25H36N2O2S/c1-17(27-30(28)25(5,6)7)22-14-8-18-16-21(13-15-23(18)26-22)29-20-11-9-19(10-12-20)24(2,3)4/h8,13-16,19-20H,9-12H2,1-7H3/t19?,20?,30-/m1/s1
InChIKeyNWZIUONRZMISTH-QLNAZMOJSA-N
XLogP6.49
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.64
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

2-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]propan-2-amine
CID 70497244
2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
CID 68605408
[1-[[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]methyl]piperidin-4-yl] hydrogen carbonate
CID 122471506
4-[[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]methylamino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 73052786
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731
trans-(1S,2S)-2-[[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 70497622
2-tert-butyl-6-cyclopropyloxynaphthalene;6-tert-butyl-2-cyclopropyloxyquinoline
CID 159751617
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanoic acid
CID 51002209
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]cyclobutane-1-carboxylic acid
CID 70498486
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 11617590
N-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]-2-diethoxyphosphorylethanamine
CID 86668415
tert-butyl 5-[N-[(R)-tert-butylsulfinyl]-C-methylcarbonimidoyl]pyrrolo[3,2-b]pyridine-1-carboxylate
CID 86689830

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 86668426) is (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2n1.
What is the InChIKey of (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is NWZIUONRZMISTH-QLNAZMOJSA-N. The full InChI is InChI=1S/C25H36N2O2S/c1-17(27-30(28)25(5,6)7)22-14-8-18-16-21(13-15-23(18)26-22)29-20-11-9-19(10-12-20)24(2,3)4/h8,13-16,19-20H,9-12H2,1-7H3/t19?,20?,30-/m1/s1.
What are the key properties of (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 428.64 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86668426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).