2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine

C11H21N5O6S2 — CID 20792631

IUPAC2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(N(C)CCS(=O)(=O)CCOSOOOC)n1
InChIInChI=1S/C11H21N5O6S2/c1-9-13-10(12-2)15-11(14-9)16(3)5-7-24(17,18)8-6-20-23-22-21-19-4/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyUPCUEYFFAZKEGQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.16
Rot. Bonds12

About 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine

2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 20792631) has the molecular formula C11H21N5O6S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID20792631
Molecular FormulaC11H21N5O6S2
Molecular Weight383.45 g/mol
Exact Mass383.09
IUPAC Name2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(N(C)CCS(=O)(=O)CCOSOOOC)n1
InChIInChI=1S/C11H21N5O6S2/c1-9-13-10(12-2)15-11(14-9)16(3)5-7-24(17,18)8-6-20-23-22-21-19-4/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyUPCUEYFFAZKEGQ-UHFFFAOYSA-N
XLogP0.16
TPSA125.00 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine (CID 20792631) is 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(C)nc(N(C)CCS(=O)(=O)CCOSOOOC)n1.
What is the InChIKey of 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UPCUEYFFAZKEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O6S2/c1-9-13-10(12-2)15-11(14-9)16(3)5-7-24(17,18)8-6-20-23-22-21-19-4/h5-8H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine?
2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 383.45 g/mol, XLogP of 0.16, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methoxyperoxysulfanyloxyethylsulfonyl)ethyl]-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20792631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).