4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine

C13H12N2O2S2 — CID 43638522

IUPAC4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine
SMILESNc1cnccc1SC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H12N2O2S2/c14-10-7-15-6-5-11(10)18-12-8-19(16,17)13-4-2-1-3-9(12)13/h1-7,12H,8,14H2
InChIKeyKTBVQCFCVRVSNW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.28
Rot. Bonds2

About 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine

4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine (PubChem CID 43638522) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine
PubChem CID43638522
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine
SMILESNc1cnccc1SC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H12N2O2S2/c14-10-7-15-6-5-11(10)18-12-8-19(16,17)13-4-2-1-3-9(12)13/h1-7,12H,8,14H2
InChIKeyKTBVQCFCVRVSNW-UHFFFAOYSA-N
XLogP2.28
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine 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 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine (CID 43638522) is 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine is Nc1cnccc1SC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine?
The InChIKey is KTBVQCFCVRVSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c14-10-7-15-6-5-11(10)18-12-8-19(16,17)13-4-2-1-3-9(12)13/h1-7,12H,8,14H2.
What are the key properties of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine?
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine has a molecular weight of 292.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 43638522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).