1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone

C13H17NO2S — CID 79601018

IUPAC1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCSCC2C)cc1O
InChIInChI=1S/C13H17NO2S/c1-9-8-17-6-5-14(9)11-3-4-12(10(2)15)13(16)7-11/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyNEQZKLAWMIHGQC-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.54
Rot. Bonds2

About 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone

1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone (PubChem CID 79601018) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone
PubChem CID79601018
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCSCC2C)cc1O
InChIInChI=1S/C13H17NO2S/c1-9-8-17-6-5-14(9)11-3-4-12(10(2)15)13(16)7-11/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyNEQZKLAWMIHGQC-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601097
1-[4-(2,4-dimethyl-1,4-diazepan-1-yl)-2-hydroxyphenyl]ethanone
CID 114086882
1-[5-bromo-2-(3-methylthiomorpholin-4-yl)phenyl]ethanone
CID 82966980
2-methyl-4-(3-methylthiomorpholin-4-yl)benzenecarboximidamide
CID 81278788
1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone
CID 130547309
1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79922071
1-[2-amino-4-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanone
CID 104528988
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
1-[2-hydroxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]ethanone
CID 79590190
1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone
CID 79601015
1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone
CID 83056595
1-(4-acetyl-3-hydroxyphenyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196323

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone (CID 79601018) is 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCSCC2C)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone?
The InChIKey is NEQZKLAWMIHGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9-8-17-6-5-14(9)11-3-4-12(10(2)15)13(16)7-11/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone?
1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone has a molecular weight of 251.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone is sourced from PubChem (CID 79601018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).