4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione

C12H14N2O2S — CID 113427947

IUPAC4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
SMILESNC(CN1C(=O)CSCC1=O)c1ccccc1
InChIInChI=1S/C12H14N2O2S/c13-10(9-4-2-1-3-5-9)6-14-11(15)7-17-8-12(14)16/h1-5,10H,6-8,13H2
InChIKeyJYKALTKGWKKSGI-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.79
Rot. Bonds3

About 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione

4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione (PubChem CID 113427947) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
PubChem CID113427947
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
SMILESNC(CN1C(=O)CSCC1=O)c1ccccc1
InChIInChI=1S/C12H14N2O2S/c13-10(9-4-2-1-3-5-9)6-14-11(15)7-17-8-12(14)16/h1-5,10H,6-8,13H2
InChIKeyJYKALTKGWKKSGI-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.79
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-(2-amino-2-phenylethyl)pyrrole-2,5-dione
CID 63120892
4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione
CID 107410015
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
3-[(2R)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one;3-[(2S)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one
CID 76964990
2-(2-amino-2-phenylethyl)-3-methylideneisoindol-1-one
CID 63120879
1-(3-amino-3-phenylpropyl)azepane-2,7-dione
CID 80507605
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
1-(2-amino-2-phenylethyl)pyridin-2-one
CID 16783269
(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine
CID 134585716
1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
CID 63771217
2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride
CID 134586238
1-(2-amino-2-phenylethyl)pyridin-2-one;hydrochloride
CID 91662965

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione (CID 113427947) is 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione is NC(CN1C(=O)CSCC1=O)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione?
The InChIKey is JYKALTKGWKKSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-10(9-4-2-1-3-5-9)6-14-11(15)7-17-8-12(14)16/h1-5,10H,6-8,13H2.
What are the key properties of 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione?
4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione has a molecular weight of 250.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 113427947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).