N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide

C16H35N9O2S — CID 176734873

About N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide

N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 176734873) has the molecular formula C16H35N9O2S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
• PubChem CID: 176734873
• Molecular Formula: C16H35N9O2S
• Molecular Weight: 417.58 g/mol
• Exact Mass: 417.26
• IUPAC Name: N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
• SMILES: CCNCCNc1nc(NCCNS(C)(=O)=O)nc(NCCN(CC)CC)n1
• InChI: InChI=1S/C16H35N9O2S/c1-5-17-8-9-18-14-22-15(19-10-11-21-28(4,26)27)24-16(23-14)20-12-13-25(6-2)7-3/h17,21H,5-13H2,1-4H3,(H3,18,19,20,22,23,24)
• InChIKey: LFSLCHJRIRRNQN-UHFFFAOYSA-N
• XLogP: -0.39
• TPSA: 136.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.58
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (CID 176734873) is N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is CCNCCNc1nc(NCCNS(C)(=O)=O)nc(NCCN(CC)CC)n1.

What is the InChIKey of N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?

The InChIKey is LFSLCHJRIRRNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N9O2S/c1-5-17-8-9-18-14-22-15(19-10-11-21-28(4,26)27)24-16(23-14)20-12-13-25(6-2)7-3/h17,21H,5-13H2,1-4H3,(H3,18,19,20,22,23,24).

What are the key properties of N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?

N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 417.58 g/mol, XLogP of -0.39, 16 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 176734873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).