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

C10H17F3N2OS — CID 115683361

IUPAC1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1(C)CN(C(=O)CNCC(F)(F)F)CCS1
InChIInChI=1S/C10H17F3N2OS/c1-9(2)7-15(3-4-17-9)8(16)5-14-6-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyQTBKNHRPKPOIOQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.49
Rot. Bonds3

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

1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 115683361) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID115683361
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1(C)CN(C(=O)CNCC(F)(F)F)CCS1
InChIInChI=1S/C10H17F3N2OS/c1-9(2)7-15(3-4-17-9)8(16)5-14-6-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyQTBKNHRPKPOIOQ-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-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 115683361) is 1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CC1(C)CN(C(=O)CNCC(F)(F)F)CCS1.
What is the InChIKey of 1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is QTBKNHRPKPOIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-9(2)7-15(3-4-17-9)8(16)5-14-6-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(2,2-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-(2,2-dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 115683361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).