1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone

C8H13F3N2OS — CID 78924515

IUPAC1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)6-12-5-7(14)13-1-3-15-4-2-13/h12H,1-6H2
InChIKeyMUYQHKSGLBNFMJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.71
Rot. Bonds3

About 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone

1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78924515) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78924515
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)6-12-5-7(14)13-1-3-15-4-2-13/h12H,1-6H2
InChIKeyMUYQHKSGLBNFMJ-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone (CID 78924515) is 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is MUYQHKSGLBNFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c9-8(10,11)6-12-5-7(14)13-1-3-15-4-2-13/h12H,1-6H2.
What are the key properties of 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone?
1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 242.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78924515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).