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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium

C71H101F9N10O14S4 — CID 161288255

IUPACN,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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.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.[C-]#[N+]Cc1nc2ccccc2n1C(=O)OC(C)(C)CC.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C17H31N3O.C15H17N3O2.C12H27NO5.C9H11F9N3O6S3/c1-4-10-16(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;1-5-15(2,3)20-14(19)18-12-9-7-6-8-11(12)17-13(18)10-16-4;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;15-16H,1-14H2,(H,18,19);6-9H,5,10H2,1-3H3;14-15H,2-12H2,1H3;2-5H2,1H3/q+1;;;;-1
InChIKeyVFZVMMLEALCXMH-UHFFFAOYSA-N
MW1617.89 g/mol
LogP11.62
Rot. Bonds29

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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium

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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium (PubChem CID 161288255) has the molecular formula C71H101F9N10O14S4 and a molecular weight of 1617.89 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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium.

Molecular Properties

Compound NameN,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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium
PubChem CID161288255
Molecular FormulaC71H101F9N10O14S4
Molecular Weight1617.89 g/mol
Exact Mass1616.62
IUPAC NameN,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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.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.[C-]#[N+]Cc1nc2ccccc2n1C(=O)OC(C)(C)CC.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C17H31N3O.C15H17N3O2.C12H27NO5.C9H11F9N3O6S3/c1-4-10-16(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;1-5-15(2,3)20-14(19)18-12-9-7-6-8-11(12)17-13(18)10-16-4;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;15-16H,1-14H2,(H,18,19);6-9H,5,10H2,1-3H3;14-15H,2-12H2,1H3;2-5H2,1H3/q+1;;;;-1
InChIKeyVFZVMMLEALCXMH-UHFFFAOYSA-N
XLogP11.62
TPSA279.73 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001617.89
LogP ≤ 511.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium with MolForge

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Related Compounds

benzhydrylbenzene;2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;2,6-di(propan-2-yl)aniline;2,2,3,3,4,4,4-heptafluoro-N-(trifluoromethylsulfonyl)butanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 158202841
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;difluoro-(4-methylpiperazin-1-yl)sulfonylmethanesulfonate;2,6-di(propan-2-yl)aniline;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 158319684
1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[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-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium
CID 159163843
[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tetrabutylazanium;triphenylsulfanium;hydroxide
CID 159240840
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;2,6-di(propan-2-yl)aniline;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 159543821
N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 160669530
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;2,6-di(propan-2-yl)aniline;2,2,3,3,4,4,4-heptafluoro-N-(trifluoromethylsulfonyl)butanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
CID 161319182

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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium?
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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium (CID 161288255) 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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium.
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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium?
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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium is C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.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.[C-]#[N+]Cc1nc2ccccc2n1C(=O)OC(C)(C)CC.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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium?
The InChIKey is VFZVMMLEALCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15S.C17H31N3O.C15H17N3O2.C12H27NO5.C9H11F9N3O6S3/c1-4-10-16(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;1-5-15(2,3)20-14(19)18-12-9-7-6-8-11(12)17-13(18)10-16-4;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;15-16H,1-14H2,(H,18,19);6-9H,5,10H2,1-3H3;14-15H,2-12H2,1H3;2-5H2,1H3/q+1;;;;-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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium?
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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium has a molecular weight of 1617.89 g/mol, XLogP of 11.62, 29 rotatable bonds, 3 hydrogen bond donors, and 19 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 2-(isocyanomethyl)benzimidazole-1-carboxylate;triphenylsulfanium is sourced from PubChem (CID 161288255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).