6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine

C11H15F3N4O2S — CID 169302845

IUPAC6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(c2nc(N)ccc2C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4O2S/c1-21(19,20)18-6-4-17(5-7-18)10-8(11(12,13)14)2-3-9(15)16-10/h2-3H,4-7H2,1H3,(H2,15,16)
InChIKeyOZLDOKZBYVOFRJ-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.76
Rot. Bonds2

About 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine

6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 169302845) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID169302845
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(c2nc(N)ccc2C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4O2S/c1-21(19,20)18-6-4-17(5-7-18)10-8(11(12,13)14)2-3-9(15)16-10/h2-3H,4-7H2,1H3,(H2,15,16)
InChIKeyOZLDOKZBYVOFRJ-UHFFFAOYSA-N
XLogP0.76
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 169302845) is 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)N1CCN(c2nc(N)ccc2C(F)(F)F)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OZLDOKZBYVOFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-21(19,20)18-6-4-17(5-7-18)10-8(11(12,13)14)2-3-9(15)16-10/h2-3H,4-7H2,1H3,(H2,15,16).
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 324.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 169302845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).