[(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate

C14H17NO3S — CID 139187347

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate
SMILESC[C@@H](OC(=O)N1CCSCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3S/c1-11(13(16)12-5-3-2-4-6-12)18-14(17)15-7-9-19-10-8-15/h2-6,11H,7-10H2,1H3/t11-/m1/s1
InChIKeyPYHJNICNBDMAID-LLVKDONJSA-N
MW279.36 g/mol
LogP2.44
Rot. Bonds3

About [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate

[(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate (PubChem CID 139187347) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate
PubChem CID139187347
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate
SMILESC[C@@H](OC(=O)N1CCSCC1)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3S/c1-11(13(16)12-5-3-2-4-6-12)18-14(17)15-7-9-19-10-8-15/h2-6,11H,7-10H2,1H3/t11-/m1/s1
InChIKeyPYHJNICNBDMAID-LLVKDONJSA-N
XLogP2.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-oxo-2-phenylethoxy)-2-(thiomorpholinomethyl)-4H-pyran-4-one
CID 49657127
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
phenacyl N,N-diethylcarbamate
CID 138964297
[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
CID 138964366
(1-Oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate
CID 163613761
(1-Oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate
CID 132574157
(1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate
CID 132574158
Phenacyl morpholine-4-carboxylate
CID 138963634
(1-oxo-1-phenylpropan-2-yl) N,N-dihexylcarbamate
CID 164677097
(1-Oxo-1-phenylpropan-2-yl) azepane-1-carboxylate
CID 164677333
(1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate
CID 164677334
[1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate
CID 164679586

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate (CID 139187347) is [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate is C[C@@H](OC(=O)N1CCSCC1)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate?
The InChIKey is PYHJNICNBDMAID-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11(13(16)12-5-3-2-4-6-12)18-14(17)15-7-9-19-10-8-15/h2-6,11H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate?
[(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] thiomorpholine-4-carboxylate is sourced from PubChem (CID 139187347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).