2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine

C13H17F3N2O3S — CID 75519671

IUPAC2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine
SMILESCC1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C)(C)CO1
InChIInChI=1S/C13H17F3N2O3S/c1-9-7-18(12(2,3)8-21-9)22(19,20)10-4-5-11(17-6-10)13(14,15)16/h4-6,9H,7-8H2,1-3H3
InChIKeyCIYQGLDGWKRGLQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.29
Rot. Bonds2

About 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine

2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine (PubChem CID 75519671) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine
PubChem CID75519671
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine
SMILESCC1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C)(C)CO1
InChIInChI=1S/C13H17F3N2O3S/c1-9-7-18(12(2,3)8-21-9)22(19,20)10-4-5-11(17-6-10)13(14,15)16/h4-6,9H,7-8H2,1-3H3
InChIKeyCIYQGLDGWKRGLQ-UHFFFAOYSA-N
XLogP2.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine (CID 75519671) is 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine is CC1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C)(C)CO1.
What is the InChIKey of 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is CIYQGLDGWKRGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-9-7-18(12(2,3)8-21-9)22(19,20)10-4-5-11(17-6-10)13(14,15)16/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine?
2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 338.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 75519671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).