6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine

C9H13ClN2O2S — CID 79864794

IUPAC6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1cccc(Cl)n1
InChIInChI=1S/C9H13ClN2O2S/c1-12(6-7-15(2,13)14)9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3
InChIKeyNJEBZHNOTSCROX-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.22
Rot. Bonds4

About 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine

6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine (PubChem CID 79864794) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
PubChem CID79864794
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1cccc(Cl)n1
InChIInChI=1S/C9H13ClN2O2S/c1-12(6-7-15(2,13)14)9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3
InChIKeyNJEBZHNOTSCROX-UHFFFAOYSA-N
XLogP1.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine (CID 79864794) is 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine is CN(CCS(C)(=O)=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The InChIKey is NJEBZHNOTSCROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-12(6-7-15(2,13)14)9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine has a molecular weight of 248.73 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 79864794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).