4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione

C13H15NO3S — CID 104570912

IUPAC4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1C(CO)Cc1ccccc1
InChIInChI=1S/C13H15NO3S/c15-7-11(6-10-4-2-1-3-5-10)14-12(16)8-18-9-13(14)17/h1-5,11,15H,6-9H2
InChIKeyGEIXDRWPBGEJID-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.69
Rot. Bonds4

About 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione

4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione (PubChem CID 104570912) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
PubChem CID104570912
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1C(CO)Cc1ccccc1
InChIInChI=1S/C13H15NO3S/c15-7-11(6-10-4-2-1-3-5-10)14-12(16)8-18-9-13(14)17/h1-5,11,15H,6-9H2
InChIKeyGEIXDRWPBGEJID-UHFFFAOYSA-N
XLogP0.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114010352
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 107861517
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-(1-hydroxy-3-phenylpropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168707836
4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168503437
(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
CID 107863697
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
CID 72965520
(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
CID 107863705

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione (CID 104570912) is 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione is O=C1CSCC(=O)N1C(CO)Cc1ccccc1.
What is the InChIKey of 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione?
The InChIKey is GEIXDRWPBGEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-7-11(6-10-4-2-1-3-5-10)14-12(16)8-18-9-13(14)17/h1-5,11,15H,6-9H2.
What are the key properties of 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione?
4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione has a molecular weight of 265.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione is sourced from PubChem (CID 104570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).