1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone

C12H17NO5S — CID 117463599

IUPAC1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(OC)ccc(OC)c1S(C)(=O)=O
InChIInChI=1S/C12H17NO5S/c1-13-7-8(14)11-9(17-2)5-6-10(18-3)12(11)19(4,15)16/h5-6,13H,7H2,1-4H3
InChIKeySUTNAWUSDKQPQX-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.51
Rot. Bonds6

About 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone

1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone (PubChem CID 117463599) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
PubChem CID117463599
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(OC)ccc(OC)c1S(C)(=O)=O
InChIInChI=1S/C12H17NO5S/c1-13-7-8(14)11-9(17-2)5-6-10(18-3)12(11)19(4,15)16/h5-6,13H,7H2,1-4H3
InChIKeySUTNAWUSDKQPQX-UHFFFAOYSA-N
XLogP0.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117438167
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
CID 117407280
1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
CID 84680628
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
CID 117365219
1-[2-(difluoromethyl)-6-methoxyphenyl]-2-(methylamino)ethanone
CID 117330007
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone (CID 117463599) is 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(OC)ccc(OC)c1S(C)(=O)=O.
What is the InChIKey of 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone?
The InChIKey is SUTNAWUSDKQPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-13-7-8(14)11-9(17-2)5-6-10(18-3)12(11)19(4,15)16/h5-6,13H,7H2,1-4H3.
What are the key properties of 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone?
1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone has a molecular weight of 287.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117463599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).