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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Related Compounds

methyl 3-[[6-(methylamino)-2-pyridinyl]sulfanyl]propanoate
CID 80886345
methyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885986
N-methyl-6-methylsulfanylpyridin-2-amine
CID 59956274
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885994
6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 62238654
[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979482
3-methyl-2-(2-methylsulfonylethylsulfanyl)aniline
CID 115551296
methyl 3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]propanoate
CID 80884659
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124
6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-amine
CID 80883221
6-N-methylpyridine-2,6-diamine
CID 55281082

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).