ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one

C15H23NOS — CID 91194535

IUPACethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
SMILESCC.O=C(CCN1CCSCC1)c1ccccc1
InChIInChI=1S/C13H17NOS.C2H6/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;1-2/h1-5H,6-11H2;1-2H3
InChIKeyINENCQIEKUBBDR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.33
Rot. Bonds4

About ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one

ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one (PubChem CID 91194535) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Nameethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
PubChem CID91194535
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Nameethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
SMILESCC.O=C(CCN1CCSCC1)c1ccccc1
InChIInChI=1S/C13H17NOS.C2H6/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;1-2/h1-5H,6-11H2;1-2H3
InChIKeyINENCQIEKUBBDR-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 55094321
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 24843954
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
CID 170859322
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one
CID 19905279
3-(1,1-dioxo-1,4-thiazepan-4-yl)-1-phenylpropan-1-one
CID 113354769

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one (CID 91194535) is ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one is CC.O=C(CCN1CCSCC1)c1ccccc1.
What is the InChIKey of ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one?
The InChIKey is INENCQIEKUBBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS.C2H6/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;1-2/h1-5H,6-11H2;1-2H3.
What are the key properties of ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one?
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one has a molecular weight of 265.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 91194535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).