N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide

C111H168F9N11O17S4 — CID 161436332

About N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide

N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide (PubChem CID 161436332) has the molecular formula C111H168F9N11O17S4 and a molecular weight of 2227.87 g/mol. Its IUPAC name is N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide.

Molecular Properties

• Compound Name: N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
• PubChem CID: 161436332
• Molecular Formula: C111H168F9N11O17S4
• Molecular Weight: 2227.87 g/mol
• Exact Mass: 2226.14
• IUPAC Name: N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
• SMILES: C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.CCC(C)(C)OC(=O)N1CCC(OC(=O)C2CCCCC2)CC1.CCCC[N+](CCCC)(CCCC)CCCC.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.COCCCN(CCOCCO)CCOCCO.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H16N2.C18H31NO4.C18H15S.C17H31N3O.C16H36N.C12H27NO5.C9H11F9N3O6S3.H2O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-4-18(2,3)23-17(21)19-12-10-15(11-13-19)22-16(20)14-8-6-5-7-9-14;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;/h1-15H,(H,22,23);14-15H,4-13H2,1-3H3;1-15H;15-16H,1-14H2,(H,18,19);5-16H2,1-4H3;14-15H,2-12H2,1H3;2-5H2,1H3;1H2/q;;+1;;+1;;-1;/p-1
• InChIKey: QIFPDHSZTHPFBS-UHFFFAOYSA-M
• XLogP: 22.13
• TPSA: 345.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 45
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.87
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?

The IUPAC name of N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide (CID 161436332) is N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide.

What is the SMILES notation for N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?

The canonical SMILES for N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide is C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.CCC(C)(C)OC(=O)N1CCC(OC(=O)C2CCCCC2)CC1.CCCC[N+](CCCC)(CCCC)CCCC.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.COCCCN(CCOCCO)CCOCCO.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?

The InChIKey is QIFPDHSZTHPFBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16N2.C18H31NO4.C18H15S.C17H31N3O.C16H36N.C12H27NO5.C9H11F9N3O6S3.H2O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-4-18(2,3)23-17(21)19-12-10-15(11-13-19)22-16(20)14-8-6-5-7-9-14;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;/h1-15H,(H,22,23);14-15H,4-13H2,1-3H3;1-15H;15-16H,1-14H2,(H,18,19);5-16H2,1-4H3;14-15H,2-12H2,1H3;2-5H2,1H3;1H2/q;;+1;;+1;;-1;/p-1.

What are the key properties of N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide?

N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide has a molecular weight of 2227.87 g/mol, XLogP of 22.13, 45 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-dicyclohexylmorpholine-4-carboximidamide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide is sourced from PubChem (CID 161436332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).