4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine

C20H23F3N2O3S — CID 133449768

IUPAC4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C20H23F3N2O3S/c1-19(2,3)29(26,27)18-9-8-16(12-24-18)25-10-11-28-17(13-25)14-4-6-15(7-5-14)20(21,22)23/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyIREOFNKJWJSEDJ-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.25
Rot. Bonds3

About 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449768) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449768
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C20H23F3N2O3S/c1-19(2,3)29(26,27)18-9-8-16(12-24-18)25-10-11-28-17(13-25)14-4-6-15(7-5-14)20(21,22)23/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyIREOFNKJWJSEDJ-UHFFFAOYSA-N
XLogP4.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449960
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
(2S)-4-pyridin-3-ylsulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366963
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 96534194
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449807
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449904
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449768) is 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine is CC(C)(C)S(=O)(=O)c1ccc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cn1.
What is the InChIKey of 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is IREOFNKJWJSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-19(2,3)29(26,27)18-9-8-16(12-24-18)25-10-11-28-17(13-25)14-4-6-15(7-5-14)20(21,22)23/h4-9,12,17H,10-11,13H2,1-3H3.
What are the key properties of 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 428.48 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).