N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine

C9H14N2O2S2 — CID 80883727

IUPACN-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine
SMILESCNc1cccc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c1-10-8-4-3-5-9(11-8)14-6-7-15(2,12)13/h3-5H,6-7H2,1-2H3,(H,10,11)
InChIKeyBYLSGLCALLTUPU-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.26
Rot. Bonds5

About N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine

N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine (PubChem CID 80883727) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine
PubChem CID80883727
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC NameN-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine
SMILESCNc1cccc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c1-10-8-4-3-5-9(11-8)14-6-7-15(2,12)13/h3-5H,6-7H2,1-2H3,(H,10,11)
InChIKeyBYLSGLCALLTUPU-UHFFFAOYSA-N
XLogP1.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine (CID 80883727) is N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine is CNc1cccc(SCCS(C)(=O)=O)n1.
What is the InChIKey of N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine?
The InChIKey is BYLSGLCALLTUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-10-8-4-3-5-9(11-8)14-6-7-15(2,12)13/h3-5H,6-7H2,1-2H3,(H,10,11).
What are the key properties of N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine?
N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 80883727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).