2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone

C16H23NO3S — CID 100654379

IUPAC2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone
SMILESCCC[C@@H]1CN(C(=O)Cc2ccc([S@@](C)=O)cc2)CCO1
InChIInChI=1S/C16H23NO3S/c1-3-4-14-12-17(9-10-20-14)16(18)11-13-5-7-15(8-6-13)21(2)19/h5-8,14H,3-4,9-12H2,1-2H3/t14-,21-/m1/s1
InChIKeyORKZATSDZGXRRW-SPLOXXLWSA-N
MW309.43 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone

2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone (PubChem CID 100654379) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone
PubChem CID100654379
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone
SMILESCCC[C@@H]1CN(C(=O)Cc2ccc([S@@](C)=O)cc2)CCO1
InChIInChI=1S/C16H23NO3S/c1-3-4-14-12-17(9-10-20-14)16(18)11-13-5-7-15(8-6-13)21(2)19/h5-8,14H,3-4,9-12H2,1-2H3/t14-,21-/m1/s1
InChIKeyORKZATSDZGXRRW-SPLOXXLWSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-propylmorpholine-4-carbonyl chloride
CID 141381731
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone (CID 100654379) is 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone is CCC[C@@H]1CN(C(=O)Cc2ccc([S@@](C)=O)cc2)CCO1.
What is the InChIKey of 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone?
The InChIKey is ORKZATSDZGXRRW-SPLOXXLWSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-3-4-14-12-17(9-10-20-14)16(18)11-13-5-7-15(8-6-13)21(2)19/h5-8,14H,3-4,9-12H2,1-2H3/t14-,21-/m1/s1.
What are the key properties of 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone?
2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone has a molecular weight of 309.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone is sourced from PubChem (CID 100654379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).