1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one

C19H21NOS — CID 117066200

IUPAC1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one
SMILESO=C(c1ccccc1)C(CN1CCSCC1)c1ccccc1
InChIInChI=1S/C19H21NOS/c21-19(17-9-5-2-6-10-17)18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h1-10,18H,11-15H2
InChIKeyOUDTYUYHBKMZIP-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.70
Rot. Bonds5

About 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one

1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one (PubChem CID 117066200) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one
PubChem CID117066200
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one
SMILESO=C(c1ccccc1)C(CN1CCSCC1)c1ccccc1
InChIInChI=1S/C19H21NOS/c21-19(17-9-5-2-6-10-17)18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h1-10,18H,11-15H2
InChIKeyOUDTYUYHBKMZIP-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one 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

1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 4209385
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
CID 53347221
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one (CID 117066200) is 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one is O=C(c1ccccc1)C(CN1CCSCC1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one?
The InChIKey is OUDTYUYHBKMZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c21-19(17-9-5-2-6-10-17)18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h1-10,18H,11-15H2.
What are the key properties of 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one?
1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one has a molecular weight of 311.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 117066200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).