2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine

C11H13NO3S — CID 117122044

IUPAC2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine
SMILESCOc1ccc2c(c1)S(=O)(=O)C=C2CCN
InChIInChI=1S/C11H13NO3S/c1-15-9-2-3-10-8(4-5-12)7-16(13,14)11(10)6-9/h2-3,6-7H,4-5,12H2,1H3
InChIKeyVHGXADRRNACZMN-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.17
Rot. Bonds3

About 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine

2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine (PubChem CID 117122044) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine
PubChem CID117122044
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine
SMILESCOc1ccc2c(c1)S(=O)(=O)C=C2CCN
InChIInChI=1S/C11H13NO3S/c1-15-9-2-3-10-8(4-5-12)7-16(13,14)11(10)6-9/h2-3,6-7H,4-5,12H2,1H3
InChIKeyVHGXADRRNACZMN-UHFFFAOYSA-N
XLogP1.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine 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

2-(5-methoxy-1,1-dioxo-1-benzothiophen-3-yl)-N-methylethanamine
CID 117195650
3-(5-methoxy-1,1-dioxo-1-benzothiophen-3-yl)propanoic acid
CID 117120915
3-[(4-methoxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117177894
3-(4-bromophenoxy)-6-methoxy-1-benzothiophene 1,1-dioxide
CID 86730637
3-(6-chloro-1,1-dioxo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117196248
3-[(3-methoxyphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117170661
3-(6-bromo-1,1-dioxo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117196249
1,1-dioxo-3-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117177850
4-methoxy-7λ6-thiabicyclo[4.2.0]octa-1(6),2,4-triene 7,7-dioxide
CID 70427650
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
6-methyl-3-(phenoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117185564
3-(5-methoxy-1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
CID 117121401

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine (CID 117122044) is 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine is COc1ccc2c(c1)S(=O)(=O)C=C2CCN.
What is the InChIKey of 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine?
The InChIKey is VHGXADRRNACZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-15-9-2-3-10-8(4-5-12)7-16(13,14)11(10)6-9/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine?
2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine has a molecular weight of 239.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,1-dioxo-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 117122044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).