1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride

C16H24ClNO2S — CID 3053168

IUPAC1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCCSc1ccc(C(=O)C(C)CN2CCOCC2)cc1.Cl
InChIInChI=1S/C16H23NO2S.ClH/c1-3-20-15-6-4-14(5-7-15)16(18)13(2)12-17-8-10-19-11-9-17;/h4-7,13H,3,8-12H2,1-2H3;1H
InChIKeyHVISPNPFEISYSO-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride

1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 3053168) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID3053168
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCCSc1ccc(C(=O)C(C)CN2CCOCC2)cc1.Cl
InChIInChI=1S/C16H23NO2S.ClH/c1-3-20-15-6-4-14(5-7-15)16(18)13(2)12-17-8-10-19-11-9-17;/h4-7,13H,3,8-12H2,1-2H3;1H
InChIKeyHVISPNPFEISYSO-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride (CID 3053168) is 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride is CCSc1ccc(C(=O)C(C)CN2CCOCC2)cc1.Cl.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is HVISPNPFEISYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S.ClH/c1-3-20-15-6-4-14(5-7-15)16(18)13(2)12-17-8-10-19-11-9-17;/h4-7,13H,3,8-12H2,1-2H3;1H.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride?
1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 329.89 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2-methyl-3-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 3053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).