N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C12H15F3N2OS — CID 102671229

IUPACN-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC1SCCC1Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H15F3N2OS/c1-8-10(4-5-19-8)17-9-2-3-11(16-6-9)18-7-12(13,14)15/h2-3,6,8,10,17H,4-5,7H2,1H3
InChIKeyJQKGBHJAQKMZAU-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.33
Rot. Bonds4

About N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 102671229) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID102671229
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC NameN-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC1SCCC1Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H15F3N2OS/c1-8-10(4-5-19-8)17-9-2-3-11(16-6-9)18-7-12(13,14)15/h2-3,6,8,10,17H,4-5,7H2,1H3
InChIKeyJQKGBHJAQKMZAU-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 102671229) is N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC1SCCC1Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is JQKGBHJAQKMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-8-10(4-5-19-8)17-9-2-3-11(16-6-9)18-7-12(13,14)15/h2-3,6,8,10,17H,4-5,7H2,1H3.
What are the key properties of N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 292.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylthiolan-3-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 102671229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).