N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine

C11H12N4O2S — CID 70513757

IUPACN-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1ncnc(S(C)(=O)=O)n1
InChIInChI=1S/C11H12N4O2S/c1-15(9-6-4-3-5-7-9)10-12-8-13-11(14-10)18(2,16)17/h3-8H,1-2H3
InChIKeyOFEJYXRGGNSFFZ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine

N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 70513757) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine
PubChem CID70513757
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1ncnc(S(C)(=O)=O)n1
InChIInChI=1S/C11H12N4O2S/c1-15(9-6-4-3-5-7-9)10-12-8-13-11(14-10)18(2,16)17/h3-8H,1-2H3
InChIKeyOFEJYXRGGNSFFZ-UHFFFAOYSA-N
XLogP1.04
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine (CID 70513757) is N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine is CN(c1ccccc1)c1ncnc(S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is OFEJYXRGGNSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-15(9-6-4-3-5-7-9)10-12-8-13-11(14-10)18(2,16)17/h3-8H,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine?
N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 264.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70513757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).