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

C11H23N7O2S — CID 164789034

IUPACN-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
SMILESCCNCCNc1nc(C)nc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H23N7O2S/c1-4-12-5-6-13-10-16-9(2)17-11(18-10)14-7-8-15-21(3,19)20/h12,15H,4-8H2,1-3H3,(H2,13,14,16,17,18)
InChIKeyRZPZQBCFHAXUFC-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.84
Rot. Bonds10

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

N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 164789034) has the molecular formula C11H23N7O2S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
PubChem CID164789034
Molecular FormulaC11H23N7O2S
Molecular Weight317.42 g/mol
Exact Mass317.16
IUPAC NameN-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
SMILESCCNCCNc1nc(C)nc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H23N7O2S/c1-4-12-5-6-13-10-16-9(2)17-11(18-10)14-7-8-15-21(3,19)20/h12,15H,4-8H2,1-3H3,(H2,13,14,16,17,18)
InChIKeyRZPZQBCFHAXUFC-UHFFFAOYSA-N
XLogP-0.84
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (CID 164789034) is N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is CCNCCNc1nc(C)nc(NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The InChIKey is RZPZQBCFHAXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7O2S/c1-4-12-5-6-13-10-16-9(2)17-11(18-10)14-7-8-15-21(3,19)20/h12,15H,4-8H2,1-3H3,(H2,13,14,16,17,18).
What are the key properties of N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.84, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(ethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 164789034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).