copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane

C51H68CuN14O6S3 — CID 158314976

About copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane

copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane (PubChem CID 158314976) has the molecular formula C51H68CuN14O6S3 and a molecular weight of 1132.94 g/mol. Its IUPAC name is copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane.

Molecular Properties

• Compound Name: copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane
• PubChem CID: 158314976
• Molecular Formula: C51H68CuN14O6S3
• Molecular Weight: 1132.94 g/mol
• Exact Mass: 1131.39
• IUPAC Name: copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane
• SMILES: C.CN(C)CCCNS(C)(=O)=O.CN(C)CCCNS(C)(=O)=O.CN(C)CCCNS(C)(=O)=O.[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
• InChI: InChI=1S/C32H16N8.3C6H16N2O2S.CH4.Cu/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*1-8(2)6-4-5-7-11(3,9)10;;/h1-16H;3*7H,4-6H2,1-3H3;1H4;/q-2;;;;;+2
• InChIKey: GODPMKQKJXOCFF-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 253.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.94
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane?

The IUPAC name of copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane (CID 158314976) is copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane.

What is the SMILES notation for copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane?

The canonical SMILES for copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane is C.CN(C)CCCNS(C)(=O)=O.CN(C)CCCNS(C)(=O)=O.CN(C)CCCNS(C)(=O)=O.[Cu+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.

What is the InChIKey of copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane?

The InChIKey is GODPMKQKJXOCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N8.3C6H16N2O2S.CH4.Cu/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*1-8(2)6-4-5-7-11(3,9)10;;/h1-16H;3*7H,4-6H2,1-3H3;1H4;/q-2;;;;;+2.

What are the key properties of copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane?

copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane has a molecular weight of 1132.94 g/mol, XLogP of 5.22, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for copper;tris(N-[3-(dimethylamino)propyl]methanesulfonamide);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;methane is sourced from PubChem (CID 158314976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).