(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

C14H17F3N2O2S — CID 71974411

IUPAC(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
SMILESCC1CN(C(=O)c2ncccc2OCC(F)(F)F)CC(C)S1
InChIInChI=1S/C14H17F3N2O2S/c1-9-6-19(7-10(2)22-9)13(20)12-11(4-3-5-18-12)21-8-14(15,16)17/h3-5,9-10H,6-8H2,1-2H3
InChIKeyMIJJZIAIAOKCIQ-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.99
Rot. Bonds3

About (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (PubChem CID 71974411) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
PubChem CID71974411
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
SMILESCC1CN(C(=O)c2ncccc2OCC(F)(F)F)CC(C)S1
InChIInChI=1S/C14H17F3N2O2S/c1-9-6-19(7-10(2)22-9)13(20)12-11(4-3-5-18-12)21-8-14(15,16)17/h3-5,9-10H,6-8H2,1-2H3
InChIKeyMIJJZIAIAOKCIQ-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The IUPAC name of (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (CID 71974411) is (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The canonical SMILES for (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is CC1CN(C(=O)c2ncccc2OCC(F)(F)F)CC(C)S1.
What is the InChIKey of (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The InChIKey is MIJJZIAIAOKCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-9-6-19(7-10(2)22-9)13(20)12-11(4-3-5-18-12)21-8-14(15,16)17/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone has a molecular weight of 334.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 71974411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).