6-(oxolan-3-ylsulfanyl)pyridin-3-amine

C9H12N2OS — CID 63558770

IUPAC6-(oxolan-3-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC2CCOC2)nc1
InChIInChI=1S/C9H12N2OS/c10-7-1-2-9(11-5-7)13-8-3-4-12-6-8/h1-2,5,8H,3-4,6,10H2
InChIKeyIBSGRUCPQYRWIQ-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.54
Rot. Bonds2

About 6-(oxolan-3-ylsulfanyl)pyridin-3-amine

6-(oxolan-3-ylsulfanyl)pyridin-3-amine (PubChem CID 63558770) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 6-(oxolan-3-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(oxolan-3-ylsulfanyl)pyridin-3-amine
PubChem CID63558770
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name6-(oxolan-3-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SC2CCOC2)nc1
InChIInChI=1S/C9H12N2OS/c10-7-1-2-9(11-5-7)13-8-3-4-12-6-8/h1-2,5,8H,3-4,6,10H2
InChIKeyIBSGRUCPQYRWIQ-UHFFFAOYSA-N
XLogP1.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 6-(oxolan-3-ylsulfanyl)pyridin-3-amine (CID 63558770) is 6-(oxolan-3-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 6-(oxolan-3-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 6-(oxolan-3-ylsulfanyl)pyridin-3-amine is Nc1ccc(SC2CCOC2)nc1.
What is the InChIKey of 6-(oxolan-3-ylsulfanyl)pyridin-3-amine?
The InChIKey is IBSGRUCPQYRWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-7-1-2-9(11-5-7)13-8-3-4-12-6-8/h1-2,5,8H,3-4,6,10H2.
What are the key properties of 6-(oxolan-3-ylsulfanyl)pyridin-3-amine?
6-(oxolan-3-ylsulfanyl)pyridin-3-amine has a molecular weight of 196.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 63558770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).