5-tert-butylsulfanylpyridin-2-amine;hydrochloride

C9H15ClN2S — CID 6603337

IUPAC5-tert-butylsulfanylpyridin-2-amine;hydrochloride
SMILESCC(C)(C)Sc1ccc(N)nc1.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-9(2,3)12-7-4-5-8(10)11-6-7;/h4-6H,1-3H3,(H2,10,11);1H
InChIKeySSHZDYGRTOAYOR-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.98
Rot. Bonds1

About 5-tert-butylsulfanylpyridin-2-amine;hydrochloride

5-tert-butylsulfanylpyridin-2-amine;hydrochloride (PubChem CID 6603337) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is 5-tert-butylsulfanylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-tert-butylsulfanylpyridin-2-amine;hydrochloride
PubChem CID6603337
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name5-tert-butylsulfanylpyridin-2-amine;hydrochloride
SMILESCC(C)(C)Sc1ccc(N)nc1.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-9(2,3)12-7-4-5-8(10)11-6-7;/h4-6H,1-3H3,(H2,10,11);1H
InChIKeySSHZDYGRTOAYOR-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.98
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;hydrochloride?
The IUPAC name of 5-tert-butylsulfanylpyridin-2-amine;hydrochloride (CID 6603337) is 5-tert-butylsulfanylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-tert-butylsulfanylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-tert-butylsulfanylpyridin-2-amine;hydrochloride is CC(C)(C)Sc1ccc(N)nc1.Cl.
What is the InChIKey of 5-tert-butylsulfanylpyridin-2-amine;hydrochloride?
The InChIKey is SSHZDYGRTOAYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.ClH/c1-9(2,3)12-7-4-5-8(10)11-6-7;/h4-6H,1-3H3,(H2,10,11);1H.
What are the key properties of 5-tert-butylsulfanylpyridin-2-amine;hydrochloride?
5-tert-butylsulfanylpyridin-2-amine;hydrochloride has a molecular weight of 218.75 g/mol, XLogP of 2.98, 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;hydrochloride is sourced from PubChem (CID 6603337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).