2-tert-butylsulfanyl-6-methylpyridin-3-amine

C10H16N2S — CID 81133216

IUPAC2-tert-butylsulfanyl-6-methylpyridin-3-amine
SMILESCc1ccc(N)c(SC(C)(C)C)n1
InChIInChI=1S/C10H16N2S/c1-7-5-6-8(11)9(12-7)13-10(2,3)4/h5-6H,11H2,1-4H3
InChIKeyZBPYDXSDUPCVKX-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.86
Rot. Bonds1

About 2-tert-butylsulfanyl-6-methylpyridin-3-amine

2-tert-butylsulfanyl-6-methylpyridin-3-amine (PubChem CID 81133216) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-6-methylpyridin-3-amine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-6-methylpyridin-3-amine
PubChem CID81133216
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-tert-butylsulfanyl-6-methylpyridin-3-amine
SMILESCc1ccc(N)c(SC(C)(C)C)n1
InChIInChI=1S/C10H16N2S/c1-7-5-6-8(11)9(12-7)13-10(2,3)4/h5-6H,11H2,1-4H3
InChIKeyZBPYDXSDUPCVKX-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-6-methylpyridin-3-amine?
The IUPAC name of 2-tert-butylsulfanyl-6-methylpyridin-3-amine (CID 81133216) is 2-tert-butylsulfanyl-6-methylpyridin-3-amine.
What is the SMILES notation for 2-tert-butylsulfanyl-6-methylpyridin-3-amine?
The canonical SMILES for 2-tert-butylsulfanyl-6-methylpyridin-3-amine is Cc1ccc(N)c(SC(C)(C)C)n1.
What is the InChIKey of 2-tert-butylsulfanyl-6-methylpyridin-3-amine?
The InChIKey is ZBPYDXSDUPCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-5-6-8(11)9(12-7)13-10(2,3)4/h5-6H,11H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-6-methylpyridin-3-amine?
2-tert-butylsulfanyl-6-methylpyridin-3-amine has a molecular weight of 196.32 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-6-methylpyridin-3-amine is sourced from PubChem (CID 81133216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).