6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C24H24F3N3O3S — CID 11554963

IUPAC6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2cc(N3CCCCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C24H24F3N3O3S/c1-34(31,32)21-7-5-6-17(14-21)22-15-19(30-12-3-2-4-13-30)16-23(29-22)28-18-8-10-20(11-9-18)33-24(25,26)27/h5-11,14-16H,2-4,12-13H2,1H3,(H,28,29)
InChIKeyBOXZYKYWJGBKRH-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.78
Rot. Bonds6

About 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 11554963) has the molecular formula C24H24F3N3O3S and a molecular weight of 491.54 g/mol. Its IUPAC name is 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID11554963
Molecular FormulaC24H24F3N3O3S
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC Name6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1cccc(-c2cc(N3CCCCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C24H24F3N3O3S/c1-34(31,32)21-7-5-6-17(14-21)22-15-19(30-12-3-2-4-13-30)16-23(29-22)28-18-8-10-20(11-9-18)33-24(25,26)27/h5-11,14-16H,2-4,12-13H2,1H3,(H,28,29)
InChIKeyBOXZYKYWJGBKRH-UHFFFAOYSA-N
XLogP5.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 11554963) is 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is CS(=O)(=O)c1cccc(-c2cc(N3CCCCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is BOXZYKYWJGBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3S/c1-34(31,32)21-7-5-6-17(14-21)22-15-19(30-12-3-2-4-13-30)16-23(29-22)28-18-8-10-20(11-9-18)33-24(25,26)27/h5-11,14-16H,2-4,12-13H2,1H3,(H,28,29).
What are the key properties of 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 491.54 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylphenyl)-4-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 11554963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).