6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine

C11H15ClN2S — CID 107272240

IUPAC6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC1CCSC1C
InChIInChI=1S/C11H15ClN2S/c1-7-9(3-4-11(12)13-7)14-10-5-6-15-8(10)2/h3-4,8,10,14H,5-6H2,1-2H3
InChIKeyPFWUCHQFYZUMRV-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.35
Rot. Bonds2

About 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine

6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine (PubChem CID 107272240) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine
PubChem CID107272240
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC1CCSC1C
InChIInChI=1S/C11H15ClN2S/c1-7-9(3-4-11(12)13-7)14-10-5-6-15-8(10)2/h3-4,8,10,14H,5-6H2,1-2H3
InChIKeyPFWUCHQFYZUMRV-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-methyl-N-(2-methylthiolan-3-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-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine (CID 107272240) is 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine is Cc1nc(Cl)ccc1NC1CCSC1C.
What is the InChIKey of 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine?
The InChIKey is PFWUCHQFYZUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-7-9(3-4-11(12)13-7)14-10-5-6-15-8(10)2/h3-4,8,10,14H,5-6H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine?
6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine has a molecular weight of 242.77 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2-methylthiolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 107272240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).