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

C10H15FN4O3S — CID 23532474

IUPACN-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCOCCNc1nc(C)nc(F)n1
InChIInChI=1S/C10H15FN4O3S/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)
InChIKeyQSSKETVGIUATKD-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.31
Rot. Bonds8

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

N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine (PubChem CID 23532474) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
PubChem CID23532474
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC NameN-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)CCOCCNc1nc(C)nc(F)n1
InChIInChI=1S/C10H15FN4O3S/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)
InChIKeyQSSKETVGIUATKD-UHFFFAOYSA-N
XLogP0.31
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.31
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 N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine (CID 23532474) is N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine is C=CS(=O)(=O)CCOCCNc1nc(C)nc(F)n1.
What is the InChIKey of N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is QSSKETVGIUATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O3S/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 N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 290.32 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23532474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).