(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)

C153H222N12O10S8 — CID 159632478

IUPAC(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)
SMILESCC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(c2ccccc2)CC1.O=S(=O)([O-])C1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H29OS.C19H27OS.C18H23OS.2C18H15S.C17H28N3.C14H23N2O4S2.2C12H26N3.C5H11NO3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;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;1-2-18-11-7-4-8-12-19-13-15-20(16-14-19)17-9-5-3-6-10-17;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;7-10(8,9)5-1-3-6-4-2-5/h10-13,16H,3-9,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;3,5-6,9-10H,2,4,7-8,11-16H2,1H3;8-11H,2-7,12,15H2,1H3;2*3-12H2,1-2H3;5-6H,1-4H2,(H,7,8,9)/q5*+1;4*-1;/p-1
InChIKeyMPHOEPBOGFQFCE-UHFFFAOYSA-M
MW2646.07 g/mol
LogP33.45
Rot. Bonds52

About (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)

(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium) (PubChem CID 159632478) has the molecular formula C153H222N12O10S8 and a molecular weight of 2646.07 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium).

Molecular Properties

Compound Name(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)
PubChem CID159632478
Molecular FormulaC153H222N12O10S8
Molecular Weight2646.07 g/mol
Exact Mass2643.50
IUPAC Name(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)
SMILESCC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(c2ccccc2)CC1.O=S(=O)([O-])C1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H29OS.C19H27OS.C18H23OS.2C18H15S.C17H28N3.C14H23N2O4S2.2C12H26N3.C5H11NO3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;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;1-2-18-11-7-4-8-12-19-13-15-20(16-14-19)17-9-5-3-6-10-17;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;7-10(8,9)5-1-3-6-4-2-5/h10-13,16H,3-9,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;3,5-6,9-10H,2,4,7-8,11-16H2,1H3;8-11H,2-7,12,15H2,1H3;2*3-12H2,1-2H3;5-6H,1-4H2,(H,7,8,9)/q5*+1;4*-1;/p-1
InChIKeyMPHOEPBOGFQFCE-UHFFFAOYSA-M
XLogP33.45
TPSA282.74 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds52
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002646.07
LogP ≤ 533.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;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 (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)?
The IUPAC name of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium) (CID 159632478) is (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium).
What is the SMILES notation for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)?
The canonical SMILES for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium) is CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(C)CC1.CC[N-]CCCCCN1CCN(c2ccccc2)CC1.O=S(=O)([O-])C1CCNCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)?
The InChIKey is MPHOEPBOGFQFCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H29OS.C19H27OS.C18H23OS.2C18H15S.C17H28N3.C14H23N2O4S2.2C12H26N3.C5H11NO3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;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;1-2-18-11-7-4-8-12-19-13-15-20(16-14-19)17-9-5-3-6-10-17;1-2-3-4-5-6-7-12-21(17,18)16-22(19,20)14-10-8-13(15)9-11-14;2*1-3-13-7-5-4-6-8-15-11-9-14(2)10-12-15;7-10(8,9)5-1-3-6-4-2-5/h10-13,16H,3-9,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;3,5-6,9-10H,2,4,7-8,11-16H2,1H3;8-11H,2-7,12,15H2,1H3;2*3-12H2,1-2H3;5-6H,1-4H2,(H,7,8,9)/q5*+1;4*-1;/p-1.
What are the key properties of (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium)?
(4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium) has a molecular weight of 2646.07 g/mol, XLogP of 33.45, 52 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)sulfonyl-octylsulfonylazanide;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(ethyl-[5-(4-methylpiperazin-1-yl)pentyl]azanide);ethyl-[5-(4-phenylpiperazin-1-yl)pentyl]azanide;piperidine-4-sulfonate;bis(triphenylsulfanium) is sourced from PubChem (CID 159632478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).