2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine

C34H68N14O8S2 — CID 70799014

IUPAC2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine
SMILESCCN(CC)CCOc1nc(NCCNS(=O)(=O)S(=O)(=O)NCCNc2nc(OCCN(CC)CC)nc(OCCN(CC)CC)n2)nc(OCCN(CC)CC)n1
InChIInChI=1S/C34H68N14O8S2/c1-9-45(10-2)21-25-53-31-39-29(40-32(43-31)54-26-22-46(11-3)12-4)35-17-19-37-57(49,50)58(51,52)38-20-18-36-30-41-33(55-27-23-47(13-5)14-6)44-34(42-30)56-28-24-48(15-7)16-8/h37-38H,9-28H2,1-8H3,(H,35,39,40,43)(H,36,41,42,44)
InChIKeyBZGFXPLLOAFVTF-UHFFFAOYSA-N
MW865.14 g/mol
LogP0.22
Rot. Bonds35

About 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine

2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine (PubChem CID 70799014) has the molecular formula C34H68N14O8S2 and a molecular weight of 865.14 g/mol. Its IUPAC name is 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine
PubChem CID70799014
Molecular FormulaC34H68N14O8S2
Molecular Weight865.14 g/mol
Exact Mass864.48
IUPAC Name2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine
SMILESCCN(CC)CCOc1nc(NCCNS(=O)(=O)S(=O)(=O)NCCNc2nc(OCCN(CC)CC)nc(OCCN(CC)CC)n2)nc(OCCN(CC)CC)n1
InChIInChI=1S/C34H68N14O8S2/c1-9-45(10-2)21-25-53-31-39-29(40-32(43-31)54-26-22-46(11-3)12-4)35-17-19-37-57(49,50)58(51,52)38-20-18-36-30-41-33(55-27-23-47(13-5)14-6)44-34(42-30)56-28-24-48(15-7)16-8/h37-38H,9-28H2,1-8H3,(H,35,39,40,43)(H,36,41,42,44)
InChIKeyBZGFXPLLOAFVTF-UHFFFAOYSA-N
XLogP0.22
TPSA243.62 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.14
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethoxy]-4-[2-[2-[[4-[2-(diethylamino)ethoxy]-6-[2-(diethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-6-[2-(diethylamino)ethylamino]-1,3,5-triazine
CID 121339686
2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]oxy]-N,N-diethylethanamine
CID 10862842
6-[2-(diethylamino)ethoxy]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80879311
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80778025
2-N-[2-(diethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770689
N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 176734873
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80871890
N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 106343315
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
CID 106332444
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine?
The IUPAC name of 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine (CID 70799014) is 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine.
What is the SMILES notation for 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine?
The canonical SMILES for 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine is CCN(CC)CCOc1nc(NCCNS(=O)(=O)S(=O)(=O)NCCNc2nc(OCCN(CC)CC)nc(OCCN(CC)CC)n2)nc(OCCN(CC)CC)n1.
What is the InChIKey of 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine?
The InChIKey is BZGFXPLLOAFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N14O8S2/c1-9-45(10-2)21-25-53-31-39-29(40-32(43-31)54-26-22-46(11-3)12-4)35-17-19-37-57(49,50)58(51,52)38-20-18-36-30-41-33(55-27-23-47(13-5)14-6)44-34(42-30)56-28-24-48(15-7)16-8/h37-38H,9-28H2,1-8H3,(H,35,39,40,43)(H,36,41,42,44).
What are the key properties of 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine?
2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine has a molecular weight of 865.14 g/mol, XLogP of 0.22, 35 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazin-2-yl]amino]ethylsulfamoylsulfonylamino]ethylamino]-4,6-bis[2-(diethylamino)ethoxy]-1,3,5-triazine is sourced from PubChem (CID 70799014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).