N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H24F3N3S — CID 103783186

IUPACN-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C13H24F3N3S/c14-13(15,16)11-19-4-1-12(2-5-19)17-3-6-18-7-9-20-10-8-18/h12,17H,1-11H2
InChIKeyXCWPISQWKPVIEB-UHFFFAOYSA-N
MW311.42 g/mol
LogP1.65
Rot. Bonds5

About N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103783186) has the molecular formula C13H24F3N3S and a molecular weight of 311.42 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103783186
Molecular FormulaC13H24F3N3S
Molecular Weight311.42 g/mol
Exact Mass311.16
IUPAC NameN-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C13H24F3N3S/c14-13(15,16)11-19-4-1-12(2-5-19)17-3-6-18-7-9-20-10-8-18/h12,17H,1-11H2
InChIKeyXCWPISQWKPVIEB-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103783186) is N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCN2CCSCC2)CC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is XCWPISQWKPVIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3S/c14-13(15,16)11-19-4-1-12(2-5-19)17-3-6-18-7-9-20-10-8-18/h12,17H,1-11H2.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 311.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103783186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).