thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C11H15F3N2OS — CID 113591644

IUPACthiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESC1CN(CC=C1C(F)(F)F)C(=O)C2CSCCN2
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)8-1-4-16(5-2-8)10(17)9-7-18-6-3-15-9/h1,9,15H,2-7H2
InChIKeyAHQBCHPTOZSWBO-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.90
Rot. Bonds1

About thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 113591644) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID113591644
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Namethiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESC1CN(CC=C1C(F)(F)F)C(=O)C2CSCCN2
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)8-1-4-16(5-2-8)10(17)9-7-18-6-3-15-9/h1,9,15H,2-7H2
InChIKeyAHQBCHPTOZSWBO-UHFFFAOYSA-N
XLogP0.90
TPSA57.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity357

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone 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 thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 113591644) is thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is C1CN(CC=C1C(F)(F)F)C(=O)C2CSCCN2.
What is the InChIKey of thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is AHQBCHPTOZSWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c12-11(13,14)8-1-4-16(5-2-8)10(17)9-7-18-6-3-15-9/h1,9,15H,2-7H2.
What are the key properties of thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 280.31 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 113591644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).