5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine

C10H15N3S — CID 107392012

IUPAC5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCCC2CNC2)cn1
InChIInChI=1S/C10H15N3S/c11-10-2-1-9(7-13-10)14-4-3-8-5-12-6-8/h1-2,7-8,12H,3-6H2,(H2,11,13)
InChIKeyXKSYROYSYFYAES-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.37
Rot. Bonds4

About 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine

5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine (PubChem CID 107392012) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine
PubChem CID107392012
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCCC2CNC2)cn1
InChIInChI=1S/C10H15N3S/c11-10-2-1-9(7-13-10)14-4-3-8-5-12-6-8/h1-2,7-8,12H,3-6H2,(H2,11,13)
InChIKeyXKSYROYSYFYAES-UHFFFAOYSA-N
XLogP1.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine (CID 107392012) is 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine is Nc1ccc(SCCC2CNC2)cn1.
What is the InChIKey of 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine?
The InChIKey is XKSYROYSYFYAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-10-2-1-9(7-13-10)14-4-3-8-5-12-6-8/h1-2,7-8,12H,3-6H2,(H2,11,13).
What are the key properties of 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine?
5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-yl)ethylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 107392012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).