(2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide

C17H23F3N2O2S — CID 7003792

IUPAC(2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCSCc2cccc(C(F)(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C17H23F3N2O2S/c1-12-9-22(10-13(2)24-12)16(23)21-6-7-25-11-14-4-3-5-15(8-14)17(18,19)20/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,21,23)/t12-,13+
InChIKeyFWGIJNWIOLSWLZ-BETUJISGSA-N
MW376.44 g/mol
LogP3.76
Rot. Bonds5

About (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide

(2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide (PubChem CID 7003792) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide
PubChem CID7003792
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name(2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCSCc2cccc(C(F)(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C17H23F3N2O2S/c1-12-9-22(10-13(2)24-12)16(23)21-6-7-25-11-14-4-3-5-15(8-14)17(18,19)20/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,21,23)/t12-,13+
InChIKeyFWGIJNWIOLSWLZ-BETUJISGSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide 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,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide (CID 7003792) is (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCCSCc2cccc(C(F)(F)F)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide?
The InChIKey is FWGIJNWIOLSWLZ-BETUJISGSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c1-12-9-22(10-13(2)24-12)16(23)21-6-7-25-11-14-4-3-5-15(8-14)17(18,19)20/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,21,23)/t12-,13+.
What are the key properties of (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide?
(2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 7003792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).