2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine

C11H15ClN2S — CID 79950932

IUPAC2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CSC(C)C1
InChIInChI=1S/C11H15ClN2S/c1-7-3-4-13-11(12)10(7)14-9-5-8(2)15-6-9/h3-4,8-9,14H,5-6H2,1-2H3
InChIKeyYZMILTAHUSPQMT-UHFFFAOYSA-N
MW242.78 g/mol
LogP3.35
Rot. Bonds2

About 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine

2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine (PubChem CID 79950932) has the molecular formula C11H15ClN2S and a molecular weight of 242.78 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
PubChem CID79950932
Molecular FormulaC11H15ClN2S
Molecular Weight242.78 g/mol
Exact Mass242.06
IUPAC Name2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CSC(C)C1
InChIInChI=1S/C11H15ClN2S/c1-7-3-4-13-11(12)10(7)14-9-5-8(2)15-6-9/h3-4,8-9,14H,5-6H2,1-2H3
InChIKeyYZMILTAHUSPQMT-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 ≤ 500242.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine (CID 79950932) is 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine is Cc1ccnc(Cl)c1NC1CSC(C)C1.
What is the InChIKey of 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine?
The InChIKey is YZMILTAHUSPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-7-3-4-13-11(12)10(7)14-9-5-8(2)15-6-9/h3-4,8-9,14H,5-6H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine?
2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine has a molecular weight of 242.78 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 2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 79950932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).