3-amino-1-(thiolan-3-yl)pyridin-4-one

C9H12N2OS — CID 165472423

IUPAC3-amino-1-(thiolan-3-yl)pyridin-4-one
SMILESNc1cn(C2CCSC2)ccc1=O
InChIInChI=1S/C9H12N2OS/c10-8-5-11(3-1-9(8)12)7-2-4-13-6-7/h1,3,5,7H,2,4,6,10H2
InChIKeyRQXURRNPRAXFSH-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.11
Rot. Bonds1

About 3-amino-1-(thiolan-3-yl)pyridin-4-one

3-amino-1-(thiolan-3-yl)pyridin-4-one (PubChem CID 165472423) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 3-amino-1-(thiolan-3-yl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(thiolan-3-yl)pyridin-4-one
PubChem CID165472423
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name3-amino-1-(thiolan-3-yl)pyridin-4-one
SMILESNc1cn(C2CCSC2)ccc1=O
InChIInChI=1S/C9H12N2OS/c10-8-5-11(3-1-9(8)12)7-2-4-13-6-7/h1,3,5,7H,2,4,6,10H2
InChIKeyRQXURRNPRAXFSH-UHFFFAOYSA-N
XLogP1.11
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(thiolan-3-yl)pyridin-4-one?
The IUPAC name of 3-amino-1-(thiolan-3-yl)pyridin-4-one (CID 165472423) is 3-amino-1-(thiolan-3-yl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(thiolan-3-yl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(thiolan-3-yl)pyridin-4-one is Nc1cn(C2CCSC2)ccc1=O.
What is the InChIKey of 3-amino-1-(thiolan-3-yl)pyridin-4-one?
The InChIKey is RQXURRNPRAXFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-8-5-11(3-1-9(8)12)7-2-4-13-6-7/h1,3,5,7H,2,4,6,10H2.
What are the key properties of 3-amino-1-(thiolan-3-yl)pyridin-4-one?
3-amino-1-(thiolan-3-yl)pyridin-4-one has a molecular weight of 196.28 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(thiolan-3-yl)pyridin-4-one is sourced from PubChem (CID 165472423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).