3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide

C13H16N2O2S — CID 79468813

IUPAC3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide
SMILESNC(=S)C(CN1CCOCC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2S/c14-13(18)11(10-4-2-1-3-5-10)8-15-6-7-17-9-12(15)16/h1-5,11H,6-9H2,(H2,14,18)
InChIKeyZIJZFGTVEWLJJO-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.92
Rot. Bonds4

About 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide

3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide (PubChem CID 79468813) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide.

Molecular Properties

Compound Name3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide
PubChem CID79468813
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide
SMILESNC(=S)C(CN1CCOCC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2S/c14-13(18)11(10-4-2-1-3-5-10)8-15-6-7-17-9-12(15)16/h1-5,11H,6-9H2,(H2,14,18)
InChIKeyZIJZFGTVEWLJJO-UHFFFAOYSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dioxomorpholin-4-yl)-2-phenylpropanethioamide
CID 64538157
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
4-(3-amino-2-phenylpropyl)morpholin-3-one
CID 79468237
3-(2-oxoazocan-1-yl)-2-phenylpropanethioamide
CID 64535933
3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide
CID 64535741
4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
CID 79468551
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpropanethioamide
CID 64536326
4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one
CID 79467881
benzyl 2-(3-oxomorpholin-4-yl)acetate;2-(3-oxomorpholin-4-yl)acetic acid
CID 158991156
4-[2-(ethylamino)-2-(4-methylphenyl)ethyl]morpholin-3-one
CID 79468530
3-(3-methyl-6-oxopyridazin-1-yl)-2-phenylpropanethioamide
CID 64535938
2-fluoro-5-[(3-oxomorpholin-4-yl)methyl]benzenecarbothioamide
CID 107879708

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide?
The IUPAC name of 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide (CID 79468813) is 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide.
What is the SMILES notation for 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide?
The canonical SMILES for 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide is NC(=S)C(CN1CCOCC1=O)c1ccccc1.
What is the InChIKey of 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide?
The InChIKey is ZIJZFGTVEWLJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c14-13(18)11(10-4-2-1-3-5-10)8-15-6-7-17-9-12(15)16/h1-5,11H,6-9H2,(H2,14,18).
What are the key properties of 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide?
3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide has a molecular weight of 264.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide is sourced from PubChem (CID 79468813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).