[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone

C15H21NO3S — CID 94014410

IUPAC[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
SMILESCC[C@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CCO1
InChIInChI=1S/C15H21NO3S/c1-3-14-10-16(7-8-19-14)15(17)13-6-4-5-12(9-13)11-20(2)18/h4-6,9,14H,3,7-8,10-11H2,1-2H3/t14-,20+/m0/s1
InChIKeyLCUGPLSJDIJDKY-VBKZILBWSA-N
MW295.40 g/mol
LogP1.82
Rot. Bonds4

About [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone

[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone (PubChem CID 94014410) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
PubChem CID94014410
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
SMILESCC[C@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CCO1
InChIInChI=1S/C15H21NO3S/c1-3-14-10-16(7-8-19-14)15(17)13-6-4-5-12(9-13)11-20(2)18/h4-6,9,14H,3,7-8,10-11H2,1-2H3/t14-,20+/m0/s1
InChIKeyLCUGPLSJDIJDKY-VBKZILBWSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methylsulfinylmethyl)benzoyl]morpholine-2-carboxamide
CID 49418686
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
[3-(chloromethyl)phenyl]-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218306
3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070657
[1-[3-(methylsulfinylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 18145982
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
[3-(dimethylamino)phenyl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25274863
[3-(dimethylamino)phenyl]-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 45193768
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
The IUPAC name of [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone (CID 94014410) is [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone.
What is the SMILES notation for [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
The canonical SMILES for [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone is CC[C@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CCO1.
What is the InChIKey of [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
The InChIKey is LCUGPLSJDIJDKY-VBKZILBWSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-14-10-16(7-8-19-14)15(17)13-6-4-5-12(9-13)11-20(2)18/h4-6,9,14H,3,7-8,10-11H2,1-2H3/t14-,20+/m0/s1.
What are the key properties of [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone?
[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone has a molecular weight of 295.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone is sourced from PubChem (CID 94014410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).