bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)

C137H187F9N12O16S11 — CID 159170070

IUPACbis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]S(=O)(=O)CCCCN1CCN(c2ccccc2)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.O=C([O-])C1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H23OS.2C18H15S.C16H26N3O2S.C14H21S.C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.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;1-2-17-22(20,21)15-7-6-10-18-11-13-19(14-12-18)16-8-4-3-5-9-16;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;8-6(9)5-1-3-7-4-2-5/h2*4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;3-5,8-9H,2,6-7,10-15H2,1H3;6-9H,4-5,10-11H2,1-3H3;3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;5,7H,1-4H2,(H,8,9)/q4*+1;-1;+1;3*-1;/p-1
InChIKeyKLONUYQBNXVJMI-UHFFFAOYSA-M
MW2781.79 g/mol
LogP27.16
Rot. Bonds45

About bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)

bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium) (PubChem CID 159170070) has the molecular formula C137H187F9N12O16S11 and a molecular weight of 2781.79 g/mol. Its IUPAC name is bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium).

Molecular Properties

Compound Namebis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)
PubChem CID159170070
Molecular FormulaC137H187F9N12O16S11
Molecular Weight2781.79 g/mol
Exact Mass2779.10
IUPAC Namebis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]S(=O)(=O)CCCCN1CCN(c2ccccc2)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.O=C([O-])C1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H23OS.2C18H15S.C16H26N3O2S.C14H21S.C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.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;1-2-17-22(20,21)15-7-6-10-18-11-13-19(14-12-18)16-8-4-3-5-9-16;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;8-6(9)5-1-3-7-4-2-5/h2*4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;3-5,8-9H,2,6-7,10-15H2,1H3;6-9H,4-5,10-11H2,1-3H3;3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;5,7H,1-4H2,(H,8,9)/q4*+1;-1;+1;3*-1;/p-1
InChIKeyKLONUYQBNXVJMI-UHFFFAOYSA-M
XLogP27.16
TPSA354.54 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds45
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002781.79
LogP ≤ 527.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)?
The IUPAC name of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium) (CID 159170070) is bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium).
What is the SMILES notation for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)?
The canonical SMILES for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium) is CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCS(=O)(=O)[N-]S(=O)(=O)CN1CCCCC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]S(=O)(=O)CCCCN1CCN(c2ccccc2)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.O=C([O-])C1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)?
The InChIKey is KLONUYQBNXVJMI-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H23OS.2C18H15S.C16H26N3O2S.C14H21S.C12H26N3.C9H11F9N3O6S3.C8H17N2O4S2.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;1-2-17-22(20,21)15-7-6-10-18-11-13-19(14-12-18)16-8-4-3-5-9-16;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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;8-6(9)5-1-3-7-4-2-5/h2*4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;3-5,8-9H,2,6-7,10-15H2,1H3;6-9H,4-5,10-11H2,1-3H3;3-12H2,1-2H3;2-5H2,1H3;2-8H2,1H3;5,7H,1-4H2,(H,8,9)/q4*+1;-1;+1;3*-1;/p-1.
What are the key properties of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium)?
bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium) has a molecular weight of 2781.79 g/mol, XLogP of 27.16, 45 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-tert-butylphenyl)thiolan-1-ium;ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[4-(4-phenylpiperazin-1-yl)butylsulfonyl]azanide;ethylsulfonyl(piperidin-1-ylmethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;piperidine-4-carboxylate;bis(triphenylsulfanium) is sourced from PubChem (CID 159170070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).