(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone

C13H14F3NO2S — CID 162416857

IUPAC(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C([C@@H](SC(F)(F)F)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)20-11(10-4-2-1-3-5-10)12(18)17-6-8-19-9-7-17/h1-5,11H,6-9H2/t11-/m0/s1
InChIKeyWWCGKQXVORFYOO-NSHDSACASA-N
MW305.32 g/mol
LogP2.84
Rot. Bonds3

About (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone

(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 162416857) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
PubChem CID162416857
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C([C@@H](SC(F)(F)F)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)20-11(10-4-2-1-3-5-10)12(18)17-6-8-19-9-7-17/h1-5,11H,6-9H2/t11-/m0/s1
InChIKeyWWCGKQXVORFYOO-NSHDSACASA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone 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 (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone (CID 162416857) is (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone is O=C([C@@H](SC(F)(F)F)c1ccccc1)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is WWCGKQXVORFYOO-NSHDSACASA-N. The full InChI is InChI=1S/C13H14F3NO2S/c14-13(15,16)20-11(10-4-2-1-3-5-10)12(18)17-6-8-19-9-7-17/h1-5,11H,6-9H2/t11-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone?
(2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 305.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-phenyl-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 162416857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).