N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide

C14H24F3N3OS — CID 71978852

IUPACN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C14H24F3N3OS/c15-14(16,17)11-19-5-2-12(3-6-19)1-4-18-13(21)20-7-9-22-10-8-20/h12H,1-11H2,(H,18,21)
InChIKeyHWNCSVLXXSTCTI-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.41
Rot. Bonds4

About N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide (PubChem CID 71978852) has the molecular formula C14H24F3N3OS and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide
PubChem CID71978852
Molecular FormulaC14H24F3N3OS
Molecular Weight339.43 g/mol
Exact Mass339.16
IUPAC NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCSCC1
InChIInChI=1S/C14H24F3N3OS/c15-14(16,17)11-19-5-2-12(3-6-19)1-4-18-13(21)20-7-9-22-10-8-20/h12H,1-11H2,(H,18,21)
InChIKeyHWNCSVLXXSTCTI-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide (CID 71978852) is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide is O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCSCC1.
What is the InChIKey of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide?
The InChIKey is HWNCSVLXXSTCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3OS/c15-14(16,17)11-19-5-2-12(3-6-19)1-4-18-13(21)20-7-9-22-10-8-20/h12H,1-11H2,(H,18,21).
What are the key properties of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide?
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide has a molecular weight of 339.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71978852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).