2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine

C8H9NO2S — CID 2821917

IUPAC2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine
SMILESNc1ccc2c(c1)CS(=O)(=O)C2
InChIInChI=1S/C8H9NO2S/c9-8-2-1-6-4-12(10,11)5-7(6)3-8/h1-3H,4-5,9H2
InChIKeyHFUIQDXPKOCDLV-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.70
Rot. Bonds

About 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine

2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine (PubChem CID 2821917) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine.

Molecular Properties

Compound Name2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine
PubChem CID2821917
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine
SMILESNc1ccc2c(c1)CS(=O)(=O)C2
InChIInChI=1S/C8H9NO2S/c9-8-2-1-6-4-12(10,11)5-7(6)3-8/h1-3H,4-5,9H2
InChIKeyHFUIQDXPKOCDLV-UHFFFAOYSA-N
XLogP0.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine?
The IUPAC name of 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine (CID 2821917) is 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine.
What is the SMILES notation for 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine?
The canonical SMILES for 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine is Nc1ccc2c(c1)CS(=O)(=O)C2.
What is the InChIKey of 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine?
The InChIKey is HFUIQDXPKOCDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-8-2-1-6-4-12(10,11)5-7(6)3-8/h1-3H,4-5,9H2.
What are the key properties of 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine?
2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine has a molecular weight of 183.23 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine is sourced from PubChem (CID 2821917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).