tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid

C143H219N12O7S5+3 — CID 157431956

About tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid

tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid (PubChem CID 157431956) has the molecular formula C143H219N12O7S5+3 and a molecular weight of 2378.74 g/mol. Its IUPAC name is tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid
• PubChem CID: 157431956
• Molecular Formula: C143H219N12O7S5+3
• Molecular Weight: 2378.74 g/mol
• Exact Mass: 2376.57
• IUPAC Name: tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid
• SMILES: CCCCCN1CCN(C)CC1.CCCCCN1CCN(N2CCCC2)CC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCC(N2CCCCC2)CC1.CC[N-]CCCCCN1CCN(C)CC1.COc1ccc([S+]2CCCC2)c2cc(C)ccc12.COc1ccc([S+]2CCCC2)c2ccccc12.O=C(O)c1cccnc1
• InChI: InChI=1S/3C18H23OS.C17H34N3.C16H19OS.C15H17OS.C13H27N3.C12H26N3.C10H22N2.C6H5NO2/c3*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-2-18-11-5-3-6-12-19-15-9-17(10-16-19)20-13-7-4-8-14-20;1-12-5-6-13-14(11-12)16(8-7-15(13)17-2)18-9-3-4-10-18;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;1-2-3-4-7-14-10-12-16(13-11-14)15-8-5-6-9-15;1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;1-3-4-5-6-12-9-7-11(2)8-10-12;8-6(9)5-2-1-3-7-4-5/h3*4-5,8-11H,2-3,6-7,12-14H2,1H3;17H,2-16H2,1H3;5-8,11H,3-4,9-10H2,1-2H3;2-3,6-9H,4-5,10-11H2,1H3;2-13H2,1H3;3-12H2,1-2H3;3-10H2,1-2H3;1-4H,(H,8,9)/q3*+1;-1;2*+1;;-1
• InChIKey: BQQKANQSSSQRTG-UHFFFAOYSA-N
• XLogP: 31.22
• TPSA: 153.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 44
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.74
LogP ≤ 5	31.22
H-Bond Donors ≤ 5	1
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 tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid?

The IUPAC name of tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid (CID 157431956) is tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid.

What is the SMILES notation for tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid?

The canonical SMILES for tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid is CCCCCN1CCN(C)CC1.CCCCCN1CCN(N2CCCC2)CC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCC(N2CCCCC2)CC1.CC[N-]CCCCCN1CCN(C)CC1.COc1ccc([S+]2CCCC2)c2cc(C)ccc12.COc1ccc([S+]2CCCC2)c2ccccc12.O=C(O)c1cccnc1.

What is the InChIKey of tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid?

The InChIKey is BQQKANQSSSQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H23OS.C17H34N3.C16H19OS.C15H17OS.C13H27N3.C12H26N3.C10H22N2.C6H5NO2/c3*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-2-18-11-5-3-6-12-19-15-9-17(10-16-19)20-13-7-4-8-14-20;1-12-5-6-13-14(11-12)16(8-7-15(13)17-2)18-9-3-4-10-18;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;1-2-3-4-7-14-10-12-16(13-11-14)15-8-5-6-9-15;1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;1-3-4-5-6-12-9-7-11(2)8-10-12;8-6(9)5-2-1-3-7-4-5/h3*4-5,8-11H,2-3,6-7,12-14H2,1H3;17H,2-16H2,1H3;5-8,11H,3-4,9-10H2,1-2H3;2-3,6-9H,4-5,10-11H2,1H3;2-13H2,1H3;3-12H2,1-2H3;3-10H2,1-2H3;1-4H,(H,8,9)/q3*+1;-1;2*+1;;-1;;.

What are the key properties of tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid?

tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid has a molecular weight of 2378.74 g/mol, XLogP of 31.22, 44 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide;ethyl-[5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]azanide;1-(4-methoxy-7-methylnaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-methyl-4-pentylpiperazine;1-pentyl-4-pyrrolidin-1-ylpiperazine;pyridine-3-carboxylic acid is sourced from PubChem (CID 157431956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).