6-(1,1-dioxothiolan-2-yl)pyridin-3-amine

C9H12N2O2S — CID 115027946

IUPAC6-(1,1-dioxothiolan-2-yl)pyridin-3-amine
SMILESNc1ccc(C2CCCS2(=O)=O)nc1
InChIInChI=1S/C9H12N2O2S/c10-7-3-4-8(11-6-7)9-2-1-5-14(9,12)13/h3-4,6,9H,1-2,5,10H2
InChIKeyPWXJGXWAUJOTPO-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.91
Rot. Bonds1

About 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine

6-(1,1-dioxothiolan-2-yl)pyridin-3-amine (PubChem CID 115027946) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1,1-dioxothiolan-2-yl)pyridin-3-amine
PubChem CID115027946
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name6-(1,1-dioxothiolan-2-yl)pyridin-3-amine
SMILESNc1ccc(C2CCCS2(=O)=O)nc1
InChIInChI=1S/C9H12N2O2S/c10-7-3-4-8(11-6-7)9-2-1-5-14(9,12)13/h3-4,6,9H,1-2,5,10H2
InChIKeyPWXJGXWAUJOTPO-UHFFFAOYSA-N
XLogP0.91
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,1-dioxothiolan-2-yl)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 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine?
The IUPAC name of 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine (CID 115027946) is 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine is Nc1ccc(C2CCCS2(=O)=O)nc1.
What is the InChIKey of 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine?
The InChIKey is PWXJGXWAUJOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-7-3-4-8(11-6-7)9-2-1-5-14(9,12)13/h3-4,6,9H,1-2,5,10H2.
What are the key properties of 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine?
6-(1,1-dioxothiolan-2-yl)pyridin-3-amine has a molecular weight of 212.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxothiolan-2-yl)pyridin-3-amine is sourced from PubChem (CID 115027946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).