(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

C15H22FNO4S — CID 129484478

IUPAC(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CC(C)(C)O1
InChIInChI=1S/C15H22FNO4S/c1-15(2)11-17(8-14(21-15)9-20-3)22(18,19)10-12-4-6-13(16)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyGPXVRJSRDNJZIS-CQSZACIVSA-N
MW331.41 g/mol
LogP1.78
Rot. Bonds5

About (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 129484478) has the molecular formula C15H22FNO4S and a molecular weight of 331.41 g/mol. Its IUPAC name is (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID129484478
Molecular FormulaC15H22FNO4S
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC Name(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CC(C)(C)O1
InChIInChI=1S/C15H22FNO4S/c1-15(2)11-17(8-14(21-15)9-20-3)22(18,19)10-12-4-6-13(16)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyGPXVRJSRDNJZIS-CQSZACIVSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128975324
(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345493
6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine
CID 128975302
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
4-[(4-fluorophenyl)methylsulfonyl]-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110602217
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541
(3aS,6aS)-5-[(4-fluorophenyl)methylsulfonyl]-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72855668
3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 129484646
2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485675
1-[(4-fluorophenyl)methylsulfonyl]-N,4-dimethylpiperidin-4-amine
CID 115304816
(3S,4S)-4-(dimethylamino)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-3-ol
CID 131929131

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 129484478) is (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is COC[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CC(C)(C)O1.
What is the InChIKey of (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is GPXVRJSRDNJZIS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22FNO4S/c1-15(2)11-17(8-14(21-15)9-20-3)22(18,19)10-12-4-6-13(16)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 331.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 129484478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).