3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

C13H19ClN2OS — CID 71897861

IUPAC3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCSCC1)c1ccccc1
InChIInChI=1S/C13H18N2OS.ClH/c14-12(11-4-2-1-3-5-11)10-13(16)15-6-8-17-9-7-15;/h1-5,12H,6-10,14H2;1H
InChIKeyFOQVSAQKOWDXSI-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.07
Rot. Bonds3

About 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 71897861) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
PubChem CID71897861
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCSCC1)c1ccccc1
InChIInChI=1S/C13H18N2OS.ClH/c14-12(11-4-2-1-3-5-11)10-13(16)15-6-8-17-9-7-15;/h1-5,12H,6-10,14H2;1H
InChIKeyFOQVSAQKOWDXSI-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
3-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 119952779
3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 119952419
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949791
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119949792
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (CID 71897861) is 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is Cl.NC(CC(=O)N1CCSCC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is FOQVSAQKOWDXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c14-12(11-4-2-1-3-5-11)10-13(16)15-6-8-17-9-7-15;/h1-5,12H,6-10,14H2;1H.
What are the key properties of 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 71897861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).