2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

C15H26F3N3OS — CID 119942517

IUPAC2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESO=C(CC1CSCCN1)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3OS/c16-15(17,18)11-21-6-2-12(3-7-21)1-4-20-14(22)9-13-10-23-8-5-19-13/h12-13,19H,1-11H2,(H,20,22)
InChIKeyUCGMIJKDODUBGA-UHFFFAOYSA-N
MW353.45 g/mol
LogP1.86
Rot. Bonds6

About 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 119942517) has the molecular formula C15H26F3N3OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
PubChem CID119942517
Molecular FormulaC15H26F3N3OS
Molecular Weight353.45 g/mol
Exact Mass353.17
IUPAC Name2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESO=C(CC1CSCCN1)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3OS/c16-15(17,18)11-21-6-2-12(3-7-21)1-4-20-14(22)9-13-10-23-8-5-19-13/h12-13,19H,1-11H2,(H,20,22)
InChIKeyUCGMIJKDODUBGA-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (CID 119942517) is 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is O=C(CC1CSCCN1)NCCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is UCGMIJKDODUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3OS/c16-15(17,18)11-21-6-2-12(3-7-21)1-4-20-14(22)9-13-10-23-8-5-19-13/h12-13,19H,1-11H2,(H,20,22).
What are the key properties of 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 119942517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).