1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)

C135H182N12O7S4 — CID 158390430

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium) (PubChem CID 158390430) has the molecular formula C135H182N12O7S4 and a molecular weight of 2213.29 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)
• PubChem CID: 158390430
• Molecular Formula: C135H182N12O7S4
• Molecular Weight: 2213.29 g/mol
• Exact Mass: 2211.31
• IUPAC Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)
• SMILES: CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCN(C2CCC(=O)O2)CC1.CC[N-]CCCCCN1CCN(C2CCCOC2=O)CC1.CC[N-]CCCCCN1CCN(C2CCOC2=O)CC1.CC[N-]CCCCCN1CCN(c2ccccc2)CC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H23OS.3C18H15S.C17H28N3.C16H30N3O2.2C15H28N3O2/c1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-18-11-7-4-8-12-19-13-15-20(16-14-19)17-9-5-3-6-10-17;1-2-17-8-4-3-5-9-18-10-12-19(13-11-18)15-7-6-14-21-16(15)20;1-2-16-8-4-3-5-9-17-10-12-18(13-11-17)14-6-7-15(19)20-14;1-2-16-7-4-3-5-8-17-9-11-18(12-10-17)14-6-13-20-15(14)19/h4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;3,5-6,9-10H,2,4,7-8,11-16H2,1H3;15H,2-14H2,1H3;2*14H,2-13H2,1H3/q4*+1;4*-1
• InChIKey: GWWWWLQTNPARFL-UHFFFAOYSA-N
• XLogP: 27.70
• TPSA: 170.45 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 46
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.29
LogP ≤ 5	27.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)?

The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium) (CID 158390430) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium).

What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)?

The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium) is CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCN(C2CCC(=O)O2)CC1.CC[N-]CCCCCN1CCN(C2CCCOC2=O)CC1.CC[N-]CCCCCN1CCN(C2CCOC2=O)CC1.CC[N-]CCCCCN1CCN(c2ccccc2)CC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)?

The InChIKey is GWWWWLQTNPARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OS.3C18H15S.C17H28N3.C16H30N3O2.2C15H28N3O2/c1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-18-11-7-4-8-12-19-13-15-20(16-14-19)17-9-5-3-6-10-17;1-2-17-8-4-3-5-9-18-10-12-19(13-11-18)15-7-6-14-21-16(15)20;1-2-16-8-4-3-5-9-17-10-12-18(13-11-17)14-6-7-15(19)20-14;1-2-16-7-4-3-5-8-17-9-11-18(12-10-17)14-6-13-20-15(14)19/h4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;3,5-6,9-10H,2,4,7-8,11-16H2,1H3;15H,2-14H2,1H3;2*14H,2-13H2,1H3/q4*+1;4*-1.

What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium)?

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium) has a molecular weight of 2213.29 g/mol, XLogP of 27.70, 46 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;ethyl-[5-[4-(2-oxooxan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-[4-(5-oxooxolan-2-yl)piperazin-1-yl]pentyl]azanide;ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;tris(triphenylsulfanium) is sourced from PubChem (CID 158390430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).