N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine

C18H20F3N3O2S — CID 133306533

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Nc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)16-7-4-8-17(23-16)22-15-9-11-24(12-10-15)27(25,26)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,22,23)
InChIKeyFDZCLXAUHGGZOS-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.51
Rot. Bonds5

About N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine

N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 133306533) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID133306533
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(Nc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)16-7-4-8-17(23-16)22-15-9-11-24(12-10-15)27(25,26)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,22,23)
InChIKeyFDZCLXAUHGGZOS-UHFFFAOYSA-N
XLogP3.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 133306533) is N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine is O=S(=O)(Cc1ccccc1)N1CCC(Nc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FDZCLXAUHGGZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)16-7-4-8-17(23-16)22-15-9-11-24(12-10-15)27(25,26)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,22,23).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 399.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133306533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).