bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)

C127H160F12N12O17S11 — CID 157278840

About bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)

bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium) (PubChem CID 157278840) has the molecular formula C127H160F12N12O17S11 and a molecular weight of 2707.46 g/mol. Its IUPAC name is bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)
• PubChem CID: 157278840
• Molecular Formula: C127H160F12N12O17S11
• Molecular Weight: 2707.46 g/mol
• Exact Mass: 2704.88
• IUPAC Name: bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)
• SMILES: CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)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.Cn1cc([S+]2CCCC2)c2ccccc21.O=C([O-])C1CCNCC1.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H23OS.2C18H15S.C13H16NS.C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.C7H5F3N2O3S.C6H11NO2/c2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;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;1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;8-6(9)5-1-3-7-4-2-5/h2*4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;2-3,6-7,10H,4-5,8-9H2,1H3;3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;1-4H,(H,12,13);5,7H,1-4H2,(H,8,9)/q5*+1;3*-1;;/p-2
• InChIKey: AZKPTYAEJDEKHK-UHFFFAOYSA-L
• XLogP: 24.08
• TPSA: 387.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2707.46
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)?

The IUPAC name of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium) (CID 157278840) is bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium).

What is the SMILES notation for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)?

The canonical SMILES for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium) is CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)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.Cn1cc([S+]2CCCC2)c2ccccc21.O=C([O-])C1CCNCC1.O=S(=O)(N=C([O-])c1cccnc1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)?

The InChIKey is AZKPTYAEJDEKHK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H23OS.2C18H15S.C13H16NS.C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.C7H5F3N2O3S.C6H11NO2/c2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;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;1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10;8-7(9,10)16(14,15)12-6(13)5-2-1-3-11-4-5;8-6(9)5-1-3-7-4-2-5/h2*4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;2-3,6-7,10H,4-5,8-9H2,1H3;3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;1-4H,(H,12,13);5,7H,1-4H2,(H,8,9)/q5*+1;3*-1;;/p-2.

What are the key properties of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium)?

bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium) has a molecular weight of 2707.46 g/mol, XLogP of 24.08, 39 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;piperidine-4-carboxylate;N-(trifluoromethylsulfonyl)pyridine-3-carboximidate;bis(triphenylsulfanium) is sourced from PubChem (CID 157278840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).