6-(2-aminopropylsulfanyl)pyridin-3-amine

C8H13N3S — CID 102689492

IUPAC6-(2-aminopropylsulfanyl)pyridin-3-amine
SMILESCC(N)CSc1ccc(N)cn1
InChIInChI=1S/C8H13N3S/c1-6(9)5-12-8-3-2-7(10)4-11-8/h2-4,6H,5,9-10H2,1H3
InChIKeyMHQJMPFXXPVJFU-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.10
Rot. Bonds3

About 6-(2-aminopropylsulfanyl)pyridin-3-amine

6-(2-aminopropylsulfanyl)pyridin-3-amine (PubChem CID 102689492) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-(2-aminopropylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-aminopropylsulfanyl)pyridin-3-amine
PubChem CID102689492
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-(2-aminopropylsulfanyl)pyridin-3-amine
SMILESCC(N)CSc1ccc(N)cn1
InChIInChI=1S/C8H13N3S/c1-6(9)5-12-8-3-2-7(10)4-11-8/h2-4,6H,5,9-10H2,1H3
InChIKeyMHQJMPFXXPVJFU-UHFFFAOYSA-N
XLogP1.10
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropylsulfanyl)pyridin-3-amine?
The IUPAC name of 6-(2-aminopropylsulfanyl)pyridin-3-amine (CID 102689492) is 6-(2-aminopropylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 6-(2-aminopropylsulfanyl)pyridin-3-amine?
The canonical SMILES for 6-(2-aminopropylsulfanyl)pyridin-3-amine is CC(N)CSc1ccc(N)cn1.
What is the InChIKey of 6-(2-aminopropylsulfanyl)pyridin-3-amine?
The InChIKey is MHQJMPFXXPVJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(9)5-12-8-3-2-7(10)4-11-8/h2-4,6H,5,9-10H2,1H3.
What are the key properties of 6-(2-aminopropylsulfanyl)pyridin-3-amine?
6-(2-aminopropylsulfanyl)pyridin-3-amine has a molecular weight of 183.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 102689492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).