(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine

C12H15F2NO3S — CID 2142612

IUPAC(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1
InChIInChI=1S/C12H15F2NO3S/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
InChIKeyZEIFFRJUOXPPPC-DTORHVGOSA-N
MW291.32 g/mol
LogP1.76
Rot. Bonds2

About (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine

(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2142612) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2142612
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1
InChIInChI=1S/C12H15F2NO3S/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
InChIKeyZEIFFRJUOXPPPC-DTORHVGOSA-N
XLogP1.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
CID 43078608
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42968218
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine (CID 2142612) is (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is ZEIFFRJUOXPPPC-DTORHVGOSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9+.
What are the key properties of (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine?
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 291.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2142612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).