phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone

C20H23NOS — CID 12805109

IUPACphenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone
SMILESCC(CN1CCSCC1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NOS/c1-16(15-21-11-13-23-14-12-21)17-7-9-19(10-8-17)20(22)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3
InChIKeyXVOODWGTMKVEOV-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.07
Rot. Bonds5

About phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone

phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone (PubChem CID 12805109) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone
PubChem CID12805109
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Namephenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone
SMILESCC(CN1CCSCC1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NOS/c1-16(15-21-11-13-23-14-12-21)17-7-9-19(10-8-17)20(22)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3
InChIKeyXVOODWGTMKVEOV-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tolperisone
CID 5511
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Tolperisone Hydrochloride
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Eperisone Hydrochloride
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(1-Phenethyl-piperidin-4-yl)-phenyl-methanone
CID 10379653
1-Benzyl-4-(4-oxo-4-phenylbutyl)piperidine Hydrochloride
CID 14553361
1-[3-((S)-1-Propyl-piperidin-3-yl)-phenyl]-ethanone
CID 10377227
1,2-Diphenyl-3-(1-piperidinyl)-1-propanone
CID 89341
1-Propanone, 3-(dimethylamino)-1,2-diphenyl-, hydrochloride
CID 91378
4-Biphenylyl(1-methyl-3-piperidinyl)methanone
CID 23723212
Phenyl-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanone
CID 10018996
2-(1-Benzyl-piperidin-4-yl)-1-(4-methylsulfanyl-phenyl)-ethanone
CID 10020103

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone?
The IUPAC name of phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone (CID 12805109) is phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone is CC(CN1CCSCC1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone?
The InChIKey is XVOODWGTMKVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-16(15-21-11-13-23-14-12-21)17-7-9-19(10-8-17)20(22)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3.
What are the key properties of phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone?
phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone has a molecular weight of 325.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(1-thiomorpholin-4-ylpropan-2-yl)phenyl]methanone is sourced from PubChem (CID 12805109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).