2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one

C10H17F3N2OS — CID 79811581

IUPAC2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC1CN(C(=O)C(C)(N)C(F)(F)F)CC(C)S1
InChIInChI=1S/C10H17F3N2OS/c1-6-4-15(5-7(2)17-6)8(16)9(3,14)10(11,12)13/h6-7H,4-5,14H2,1-3H3
InChIKeyYDDLWNSIPXQTOM-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.62
Rot. Bonds1

About 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 79811581) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID79811581
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC1CN(C(=O)C(C)(N)C(F)(F)F)CC(C)S1
InChIInChI=1S/C10H17F3N2OS/c1-6-4-15(5-7(2)17-6)8(16)9(3,14)10(11,12)13/h6-7H,4-5,14H2,1-3H3
InChIKeyYDDLWNSIPXQTOM-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one (CID 79811581) is 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one is CC1CN(C(=O)C(C)(N)C(F)(F)F)CC(C)S1.
What is the InChIKey of 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is YDDLWNSIPXQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-6-4-15(5-7(2)17-6)8(16)9(3,14)10(11,12)13/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 270.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 79811581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).