1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium

C125H185N13O7S6 — CID 159064258

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium (PubChem CID 159064258) has the molecular formula C125H185N13O7S6 and a molecular weight of 2174.34 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium.

Molecular Properties

• Compound Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium
• PubChem CID: 159064258
• Molecular Formula: C125H185N13O7S6
• Molecular Weight: 2174.34 g/mol
• Exact Mass: 2172.28
• IUPAC Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium
• SMILES: CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(CC(C)=O)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.c1ccc(OCCn2cc([S+]3CCCC3)c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C20H22NOS.C18H29N2O4S2.C18H23OS.C18H15S.C14H28N3O.C13H16NS.2C12H26N3/c1-2-8-17(9-3-1)22-13-12-21-16-20(23-14-6-7-15-23)18-10-4-5-11-19(18)21;1-2-3-4-5-6-9-16-25(21,22)19-26(23,24)18-12-10-17(11-13-18)20-14-7-8-15-20;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15-7-5-4-6-8-16-9-11-17(12-10-16)13-14(2)18;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15/h1-5,8-11,16H,6-7,12-15H2;10-13H,2-9,14-16H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;3-13H2,1-2H3;2-3,6-7,10H,4-5,8-9H2,1H3;2*3-12H2,1-2H3/q+1;-1;2*+1;-1;+1;2*-1
• InChIKey: JYVWTBIJTAWSIW-UHFFFAOYSA-N
• XLogP: 26.40
• TPSA: 192.75 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 48
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.34
LogP ≤ 5	26.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium?

The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium (CID 159064258) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium.

What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium?

The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium is CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N2CCCC2)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(CC(C)=O)CC1.Cn1cc([S+]2CCCC2)c2ccccc21.c1ccc(OCCn2cc([S+]3CCCC3)c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium?

The InChIKey is JYVWTBIJTAWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NOS.C18H29N2O4S2.C18H23OS.C18H15S.C14H28N3O.C13H16NS.2C12H26N3/c1-2-8-17(9-3-1)22-13-12-21-16-20(23-14-6-7-15-23)18-10-4-5-11-19(18)21;1-2-3-4-5-6-9-16-25(21,22)19-26(23,24)18-12-10-17(11-13-18)20-14-7-8-15-20;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15-7-5-4-6-8-16-9-11-17(12-10-16)13-14(2)18;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15/h1-5,8-11,16H,6-7,12-15H2;10-13H,2-9,14-16H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;3-13H2,1-2H3;2-3,6-7,10H,4-5,8-9H2,1H3;2*3-12H2,1-2H3/q+1;-1;2*+1;-1;+1;2*-1.

What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium?

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium has a molecular weight of 2174.34 g/mol, XLogP of 26.40, 48 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-[4-(2-oxopropyl)piperazin-1-yl]pentyl]azanide;1-methyl-3-(thiolan-1-ium-1-yl)indole;octylsulfonyl-(4-pyrrolidin-1-ylphenyl)sulfonylazanide;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;triphenylsulfanium is sourced from PubChem (CID 159064258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).