2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone

C15H20ClNO3S — CID 100701243

IUPAC2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C[S@](=O)Cc2ccccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C15H20ClNO3S/c1-11-7-17(8-12(2)20-11)15(18)10-21(19)9-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3/t11-,12-,21-/m1/s1
InChIKeyIJWNQZMVHSEPEG-JWCBKOKGSA-N
MW329.85 g/mol
LogP2.22
Rot. Bonds4

About 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone

2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 100701243) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID100701243
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C[S@](=O)Cc2ccccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C15H20ClNO3S/c1-11-7-17(8-12(2)20-11)15(18)10-21(19)9-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3/t11-,12-,21-/m1/s1
InChIKeyIJWNQZMVHSEPEG-JWCBKOKGSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503887
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
CID 103291169
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
[4-[(2-chlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8814188
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone (CID 100701243) is 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)C[S@](=O)Cc2ccccc2Cl)C[C@@H](C)O1.
What is the InChIKey of 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is IJWNQZMVHSEPEG-JWCBKOKGSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-11-7-17(8-12(2)20-11)15(18)10-21(19)9-13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3/t11-,12-,21-/m1/s1.
What are the key properties of 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 329.85 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 100701243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).