2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane

C124H233CuN19O24S4Si12-2 — CID 162076639

About 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane

2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane (PubChem CID 162076639) has the molecular formula C124H233CuN19O24S4Si12-2 and a molecular weight of 2903.18 g/mol. Its IUPAC name is 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane.

Molecular Properties

• Compound Name: 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane
• PubChem CID: 162076639
• Molecular Formula: C124H233CuN19O24S4Si12-2
• Molecular Weight: 2903.18 g/mol
• Exact Mass: 2899.30
• IUPAC Name: 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane
• SMILES: CC.CCCC[N+](C)(CCCC)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.CCCC[N+](C)(CCCC)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.CCCC[N+](C)(CCCC)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.CNS(=O)[O-].CO[Si](CCCCc1nc(N)nc(Nc2cc(NS(C)(=O)=O)ccc2S(=O)(=O)[O-])n1)(OC)OC.CO[Si](O)(CCCN)OC.CS(=O)(=O)[O-].O=[Si]=O.[Cu].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/C32H16N8.3C22H54NO2Si3.C17H28N6O8S2Si.C5H15NO3Si.C2H6.CH5NO2S.CH4O3S.Cu.O2Si/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;3*1-11-14-18-23(4,19-15-12-2)20-17-22-27(7,8)25-28(9,10)24-26(5,6)21-16-13-3;1-29-34(30-2,31-3)10-6-5-7-15-20-16(18)22-17(21-15)19-13-11-12(23-32(4,24)25)8-9-14(13)33(26,27)28;1-8-10(7,9-2)5-3-4-6;1-2;1-2-5(3)4;1-5(2,3)4;;1-3-2/h1-16H;3*11-22H2,1-10H3;8-9,11,23H,5-7,10H2,1-4H3,(H,26,27,28)(H3,18,19,20,21,22);7H,3-6H2,1-2H3;1-2H3;2H,1H3,(H,3,4);1H3,(H,2,3,4);;/q-2;3*+1;;;;;;;/p-3
• InChIKey: LTYRHQYZJGBXLT-UHFFFAOYSA-K
• XLogP: 27.03
• TPSA: 576.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 70
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2903.18
LogP ≤ 5	27.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane?

The IUPAC name of 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane (CID 162076639) is 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane.

What is the SMILES notation for 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane?

The canonical SMILES for 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane is CC.CCCC[N+](C)(CCCC)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.CCCC[N+](C)(CCCC)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.CCCC[N+](C)(CCCC)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.CNS(=O)[O-].CO[Si](CCCCc1nc(N)nc(Nc2cc(NS(C)(=O)=O)ccc2S(=O)(=O)[O-])n1)(OC)OC.CO[Si](O)(CCCN)OC.CS(=O)(=O)[O-].O=[Si]=O.[Cu].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane?

The InChIKey is LTYRHQYZJGBXLT-UHFFFAOYSA-K. The full InChI is InChI=1S/C32H16N8.3C22H54NO2Si3.C17H28N6O8S2Si.C5H15NO3Si.C2H6.CH5NO2S.CH4O3S.Cu.O2Si/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;3*1-11-14-18-23(4,19-15-12-2)20-17-22-27(7,8)25-28(9,10)24-26(5,6)21-16-13-3;1-29-34(30-2,31-3)10-6-5-7-15-20-16(18)22-17(21-15)19-13-11-12(23-32(4,24)25)8-9-14(13)33(26,27)28;1-8-10(7,9-2)5-3-4-6;1-2;1-2-5(3)4;1-5(2,3)4;;1-3-2/h1-16H;3*11-22H2,1-10H3;8-9,11,23H,5-7,10H2,1-4H3,(H,26,27,28)(H3,18,19,20,21,22);7H,3-6H2,1-2H3;1-2H3;2H,1H3,(H,3,4);1H3,(H,2,3,4);;/q-2;3*+1;;;;;;;/p-3.

What are the key properties of 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane?

2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane has a molecular weight of 2903.18 g/mol, XLogP of 27.03, 70 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-amino-6-(4-trimethoxysilylbutyl)-1,3,5-triazin-2-yl]amino]-4-(methanesulfonamido)benzenesulfonate;copper;tris(dibutyl-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-methylazanium);dioxosilane;ethane;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;3-[hydroxy(dimethoxy)silyl]propan-1-amine;methanesulfonate;(sulfinatoamino)methane is sourced from PubChem (CID 162076639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).