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

C10H14Cl2N2O2S — CID 79850485

IUPAC5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C10H14Cl2N2O2S/c1-14(5-6-17(2,15)16)10-4-3-8(12)9(7-11)13-10/h3-4H,5-7H2,1-2H3
InChIKeyJHONCBQITISRQW-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.95
Rot. Bonds5

About 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine

5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine (PubChem CID 79850485) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
PubChem CID79850485
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C10H14Cl2N2O2S/c1-14(5-6-17(2,15)16)10-4-3-8(12)9(7-11)13-10/h3-4H,5-7H2,1-2H3
InChIKeyJHONCBQITISRQW-UHFFFAOYSA-N
XLogP1.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine (CID 79850485) is 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine is CN(CCS(C)(=O)=O)c1ccc(Cl)c(CCl)n1.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
The InChIKey is JHONCBQITISRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-14(5-6-17(2,15)16)10-4-3-8(12)9(7-11)13-10/h3-4H,5-7H2,1-2H3.
What are the key properties of 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine?
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine has a molecular weight of 297.21 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine is sourced from PubChem (CID 79850485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).