N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine

C8H11FN4O2S — CID 21303869

IUPACN-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCNc1nc(C)nc(F)n1
InChIInChI=1S/C8H11FN4O2S/c1-3-16(14,15)5-4-10-8-12-6(2)11-7(9)13-8/h3H,1,4-5H2,2H3,(H,10,11,12,13)
InChIKeyJMZQJKCWNFZQCR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.29
Rot. Bonds5

About N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine

N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine (PubChem CID 21303869) has the molecular formula C8H11FN4O2S and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine
PubChem CID21303869
Molecular FormulaC8H11FN4O2S
Molecular Weight246.27 g/mol
Exact Mass246.06
IUPAC NameN-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCNc1nc(C)nc(F)n1
InChIInChI=1S/C8H11FN4O2S/c1-3-16(14,15)5-4-10-8-12-6(2)11-7(9)13-8/h3H,1,4-5H2,2H3,(H,10,11,12,13)
InChIKeyJMZQJKCWNFZQCR-UHFFFAOYSA-N
XLogP0.29
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine (CID 21303869) is N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine is C=CS(=O)(=O)CCNc1nc(C)nc(F)n1.
What is the InChIKey of N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is JMZQJKCWNFZQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O2S/c1-3-16(14,15)5-4-10-8-12-6(2)11-7(9)13-8/h3H,1,4-5H2,2H3,(H,10,11,12,13).
What are the key properties of N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 21303869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).