1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C10H17F3N2OS — CID 79036849

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1CN(C(=O)CNCC(F)(F)F)CC(C)S1
InChIInChI=1S/C10H17F3N2OS/c1-7-4-15(5-8(2)17-7)9(16)3-14-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyDAIGCIUTNLTHAG-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.49
Rot. Bonds3

About 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79036849) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79036849
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1CN(C(=O)CNCC(F)(F)F)CC(C)S1
InChIInChI=1S/C10H17F3N2OS/c1-7-4-15(5-8(2)17-7)9(16)3-14-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyDAIGCIUTNLTHAG-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 79036849) is 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CC1CN(C(=O)CNCC(F)(F)F)CC(C)S1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is DAIGCIUTNLTHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-7-4-15(5-8(2)17-7)9(16)3-14-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 270.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79036849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).