1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol

C14H23NO5S — CID 79845125

IUPAC1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
SMILESCOc1ccc(C(O)CN(C)CCS(C)(=O)=O)cc1OC
InChIInChI=1S/C14H23NO5S/c1-15(7-8-21(4,17)18)10-12(16)11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12,16H,7-8,10H2,1-4H3
InChIKeyWKRFEFSOSZNJRE-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.71
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol

1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol (PubChem CID 79845125) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
PubChem CID79845125
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
SMILESCOc1ccc(C(O)CN(C)CCS(C)(=O)=O)cc1OC
InChIInChI=1S/C14H23NO5S/c1-15(7-8-21(4,17)18)10-12(16)11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12,16H,7-8,10H2,1-4H3
InChIKeyWKRFEFSOSZNJRE-UHFFFAOYSA-N
XLogP0.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81036228
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 112733979
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide
CID 110291277
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethylbenzenesulfonamide
CID 110291307
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82073652
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110291304
4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
CID 110629765
1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65151867

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol (CID 79845125) is 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol is COc1ccc(C(O)CN(C)CCS(C)(=O)=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol?
The InChIKey is WKRFEFSOSZNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-15(7-8-21(4,17)18)10-12(16)11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12,16H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol?
1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol has a molecular weight of 317.41 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol is sourced from PubChem (CID 79845125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).