1-phenyl-2-thiomorpholin-4-ylpropan-1-one

C13H17NOS — CID 60863276

IUPAC1-phenyl-2-thiomorpholin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCSCC1
InChIInChI=1S/C13H17NOS/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyJETOYULIPOCPBD-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.31
Rot. Bonds3

About 1-phenyl-2-thiomorpholin-4-ylpropan-1-one

1-phenyl-2-thiomorpholin-4-ylpropan-1-one (PubChem CID 60863276) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-phenyl-2-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-phenyl-2-thiomorpholin-4-ylpropan-1-one
PubChem CID60863276
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-phenyl-2-thiomorpholin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCSCC1
InChIInChI=1S/C13H17NOS/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyJETOYULIPOCPBD-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
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2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
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2-(4,4-dimethylazepan-1-yl)-1-phenylpropan-1-one
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CID 62030314
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
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CID 82098584
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 1-phenyl-2-thiomorpholin-4-ylpropan-1-one (CID 60863276) is 1-phenyl-2-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-phenyl-2-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 1-phenyl-2-thiomorpholin-4-ylpropan-1-one is CC(C(=O)c1ccccc1)N1CCSCC1.
What is the InChIKey of 1-phenyl-2-thiomorpholin-4-ylpropan-1-one?
The InChIKey is JETOYULIPOCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-phenyl-2-thiomorpholin-4-ylpropan-1-one?
1-phenyl-2-thiomorpholin-4-ylpropan-1-one has a molecular weight of 235.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 60863276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).