methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate

C13H15NO5S — CID 64674569

IUPACmethyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)CC(N)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO5S/c1-18-13(15)8-20(16,17)7-10(14)12-6-9-4-2-3-5-11(9)19-12/h2-6,10H,7-8,14H2,1H3
InChIKeyODBDMVGANCPKBP-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.02
Rot. Bonds5

About methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate

methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate (PubChem CID 64674569) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate
PubChem CID64674569
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Namemethyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)CC(N)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO5S/c1-18-13(15)8-20(16,17)7-10(14)12-6-9-4-2-3-5-11(9)19-12/h2-6,10H,7-8,14H2,1H3
InChIKeyODBDMVGANCPKBP-UHFFFAOYSA-N
XLogP1.02
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate 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

methyl 3-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanylpropanoate
CID 64614353
methyl 2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfonylacetate
CID 64673981
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
5-[(2-methoxy-2-oxoethyl)sulfonylmethyl]-1-benzofuran-2-carboxylic acid
CID 65293754
[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine
CID 105337838
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
1-(1-benzofuran-2-yl)-2-(2-methylbutylsulfonyl)ethanone
CID 107767760
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]ethanesulfonamide
CID 124891766
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate?
The IUPAC name of methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate (CID 64674569) is methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate is COC(=O)CS(=O)(=O)CC(N)c1cc2ccccc2o1.
What is the InChIKey of methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate?
The InChIKey is ODBDMVGANCPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-18-13(15)8-20(16,17)7-10(14)12-6-9-4-2-3-5-11(9)19-12/h2-6,10H,7-8,14H2,1H3.
What are the key properties of methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate?
methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate has a molecular weight of 297.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate is sourced from PubChem (CID 64674569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).