N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine

C11H16N2O2S — CID 79042679

IUPACN-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3
InChIKeyUTGFIRRMSACIPX-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.38
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine

N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine (PubChem CID 79042679) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine
PubChem CID79042679
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3
InChIKeyUTGFIRRMSACIPX-UHFFFAOYSA-N
XLogP1.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-3-yl)-2-methylpyridin-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 N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine (CID 79042679) is N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine is Cc1ncccc1NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine?
The InChIKey is UTGFIRRMSACIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine?
N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine has a molecular weight of 240.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).