1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride

C8H10ClNO2S — CID 71756835

IUPAC1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride
SMILESCl.NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO2S.ClH/c9-7-5-12(10,11)8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H
InChIKeyJWGIERZTZOJHCI-UHFFFAOYSA-N
MW219.69 g/mol
LogP0.90
Rot. Bonds

About 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride

1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride (PubChem CID 71756835) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride
PubChem CID71756835
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride
SMILESCl.NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9NO2S.ClH/c9-7-5-12(10,11)8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H
InChIKeyJWGIERZTZOJHCI-UHFFFAOYSA-N
XLogP0.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
The IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride (CID 71756835) is 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride is Cl.NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
The InChIKey is JWGIERZTZOJHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S.ClH/c9-7-5-12(10,11)8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H.
What are the key properties of 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride?
1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine;hydrochloride is sourced from PubChem (CID 71756835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).