(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine

C13H16F3NO4S — CID 51936673

IUPAC(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine
SMILESC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO4S/c1-9-8-20-10(2)7-17(9)22(18,19)12-6-4-3-5-11(12)21-13(14,15)16/h3-6,9-10H,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyGYTVQXBOOVUQPU-ZJUUUORDSA-N
MW339.34 g/mol
LogP2.38
Rot. Bonds3

About (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine

(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine (PubChem CID 51936673) has the molecular formula C13H16F3NO4S and a molecular weight of 339.34 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine
PubChem CID51936673
Molecular FormulaC13H16F3NO4S
Molecular Weight339.34 g/mol
Exact Mass339.08
IUPAC Name(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine
SMILESC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO4S/c1-9-8-20-10(2)7-17(9)22(18,19)12-6-4-3-5-11(12)21-13(14,15)16/h3-6,9-10H,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyGYTVQXBOOVUQPU-ZJUUUORDSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
(1R,4S)-5-[2-(trifluoromethoxy)phenyl]sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129353252
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255
4-(3-fluoro-2-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 115589516
methyl 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-4-fluorobenzoate
CID 98753988
N-butyl-6-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 60568174
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
sodium 2-(trifluoromethoxy)benzenesulfonate
CID 112705039
[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920372
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
methyl 1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-2-carboxylate
CID 3775996
[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79186896

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine?
The IUPAC name of (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine (CID 51936673) is (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine?
The canonical SMILES for (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine is C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine?
The InChIKey is GYTVQXBOOVUQPU-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H16F3NO4S/c1-9-8-20-10(2)7-17(9)22(18,19)12-6-4-3-5-11(12)21-13(14,15)16/h3-6,9-10H,7-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine?
(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine has a molecular weight of 339.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine is sourced from PubChem (CID 51936673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).