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

C9H13FN4O3S — CID 54187348

IUPACN-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)COCCNc1nc(C)nc(F)n1
InChIInChI=1S/C9H13FN4O3S/c1-3-18(15,16)6-17-5-4-11-9-13-7(2)12-8(10)14-9/h3H,1,4-6H2,2H3,(H,11,12,13,14)
InChIKeyPFZUCJWGFVLRGA-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.26
Rot. Bonds7

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

N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine (PubChem CID 54187348) has the molecular formula C9H13FN4O3S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
PubChem CID54187348
Molecular FormulaC9H13FN4O3S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)COCCNc1nc(C)nc(F)n1
InChIInChI=1S/C9H13FN4O3S/c1-3-18(15,16)6-17-5-4-11-9-13-7(2)12-8(10)14-9/h3H,1,4-6H2,2H3,(H,11,12,13,14)
InChIKeyPFZUCJWGFVLRGA-UHFFFAOYSA-N
XLogP0.26
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.26
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-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine (CID 54187348) is N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine is C=CS(=O)(=O)COCCNc1nc(C)nc(F)n1.
What is the InChIKey of N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is PFZUCJWGFVLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O3S/c1-3-18(15,16)6-17-5-4-11-9-13-7(2)12-8(10)14-9/h3H,1,4-6H2,2H3,(H,11,12,13,14).
What are the key properties of N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 276.29 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 54187348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).