(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine

C12H14F3NO4S — CID 51939603

IUPAC(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO4S/c1-9-8-19-7-6-16(9)21(17,18)11-4-2-10(3-5-11)20-12(13,14)15/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeyUJYDDDRJUVLBDF-SECBINFHSA-N
MW325.31 g/mol
LogP1.99
Rot. Bonds3

About (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine

(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine (PubChem CID 51939603) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
PubChem CID51939603
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO4S/c1-9-8-19-7-6-16(9)21(17,18)11-4-2-10(3-5-11)20-12(13,14)15/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeyUJYDDDRJUVLBDF-SECBINFHSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798
2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773806
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine (CID 51939603) is (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine is C[C@@H]1COCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine?
The InChIKey is UJYDDDRJUVLBDF-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c1-9-8-19-7-6-16(9)21(17,18)11-4-2-10(3-5-11)20-12(13,14)15/h2-5,9H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine?
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine has a molecular weight of 325.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine is sourced from PubChem (CID 51939603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).