1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one

C13H16BrNOS — CID 55094321

IUPAC1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCSCC1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrNOS/c14-12-3-1-2-11(10-12)13(16)4-5-15-6-8-17-9-7-15/h1-3,10H,4-9H2
InChIKeyAPIMUYICHGLLQQ-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one

1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one (PubChem CID 55094321) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
PubChem CID55094321
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCSCC1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrNOS/c14-12-3-1-2-11(10-12)13(16)4-5-15-6-8-17-9-7-15/h1-3,10H,4-9H2
InChIKeyAPIMUYICHGLLQQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62931132
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
1-(3-bromophenyl)-3-(4-methylazepan-1-yl)propan-1-one
CID 63624671
1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228830
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)-2-(thian-4-yl)ethanone
CID 83136559
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
CID 170859322
1-(3-bromophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456818
1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 24843954
1-(3-bromophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638066
1-(3-bromophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62613958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one (CID 55094321) is 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one is O=C(CCN1CCSCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one?
The InChIKey is APIMUYICHGLLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c14-12-3-1-2-11(10-12)13(16)4-5-15-6-8-17-9-7-15/h1-3,10H,4-9H2.
What are the key properties of 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one?
1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one has a molecular weight of 314.25 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 55094321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).