5-tert-butylsulfanylpyridin-2-amine

C9H14N2S — CID 658045

IUPAC5-tert-butylsulfanylpyridin-2-amine
SMILESCC(C)(C)Sc1ccc(N)nc1
InChIInChI=1S/C9H14N2S/c1-9(2,3)12-7-4-5-8(10)11-6-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyGPNDJOUZGOEGEI-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.55
Rot. Bonds1

About 5-tert-butylsulfanylpyridin-2-amine

5-tert-butylsulfanylpyridin-2-amine (PubChem CID 658045) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-tert-butylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-tert-butylsulfanylpyridin-2-amine
PubChem CID658045
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-tert-butylsulfanylpyridin-2-amine
SMILESCC(C)(C)Sc1ccc(N)nc1
InChIInChI=1S/C9H14N2S/c1-9(2,3)12-7-4-5-8(10)11-6-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyGPNDJOUZGOEGEI-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanylpyridin-2-amine?
The IUPAC name of 5-tert-butylsulfanylpyridin-2-amine (CID 658045) is 5-tert-butylsulfanylpyridin-2-amine.
What is the SMILES notation for 5-tert-butylsulfanylpyridin-2-amine?
The canonical SMILES for 5-tert-butylsulfanylpyridin-2-amine is CC(C)(C)Sc1ccc(N)nc1.
What is the InChIKey of 5-tert-butylsulfanylpyridin-2-amine?
The InChIKey is GPNDJOUZGOEGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2,3)12-7-4-5-8(10)11-6-7/h4-6H,1-3H3,(H2,10,11).
What are the key properties of 5-tert-butylsulfanylpyridin-2-amine?
5-tert-butylsulfanylpyridin-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanylpyridin-2-amine is sourced from PubChem (CID 658045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).