4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine

C10H15ClN4O3S — CID 20792598

IUPAC4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCOCCNc1nc(C)nc(Cl)n1
InChIInChI=1S/C10H15ClN4O3S/c1-3-19(16,17)7-6-18-5-4-12-10-14-8(2)13-9(11)15-10/h3H,1,4-7H2,2H3,(H,12,13,14,15)
InChIKeyGRKNADWSNIRZGQ-UHFFFAOYSA-N
MW306.78 g/mol
LogP0.82
Rot. Bonds8

About 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine

4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 20792598) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID20792598
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCOCCNc1nc(C)nc(Cl)n1
InChIInChI=1S/C10H15ClN4O3S/c1-3-19(16,17)7-6-18-5-4-12-10-14-8(2)13-9(11)15-10/h3H,1,4-7H2,2H3,(H,12,13,14,15)
InChIKeyGRKNADWSNIRZGQ-UHFFFAOYSA-N
XLogP0.82
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine (CID 20792598) is 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine is C=CS(=O)(=O)CCOCCNc1nc(C)nc(Cl)n1.
What is the InChIKey of 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is GRKNADWSNIRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-3-19(16,17)7-6-18-5-4-12-10-14-8(2)13-9(11)15-10/h3H,1,4-7H2,2H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 306.78 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 20792598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).