(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one

C17H24N2O2S — CID 124588141

IUPAC(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)N1CCSCC1
InChIInChI=1S/C17H24N2O2S/c1-14(18-8-11-22-12-9-18)17(20)19-7-10-21-16(13-19)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14-,16-/m0/s1
InChIKeyBUXIBCQSKIAMMQ-HOCLYGCPSA-N
MW320.46 g/mol
LogP2.02
Rot. Bonds3

About (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one

(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one (PubChem CID 124588141) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
PubChem CID124588141
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)N1CCSCC1
InChIInChI=1S/C17H24N2O2S/c1-14(18-8-11-22-12-9-18)17(20)19-7-10-21-16(13-19)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14-,16-/m0/s1
InChIKeyBUXIBCQSKIAMMQ-HOCLYGCPSA-N
XLogP2.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
CID 125432054
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CID 43070696
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 110348231
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
CID 110348278
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one
CID 97239151
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one (CID 124588141) is (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)N1CCSCC1.
What is the InChIKey of (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
The InChIKey is BUXIBCQSKIAMMQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-14(18-8-11-22-12-9-18)17(20)19-7-10-21-16(13-19)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one?
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one has a molecular weight of 320.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 124588141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).