5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one

C10H14N2OS — CID 155858713

IUPAC5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one
SMILESCc1cc(=O)n(C2CCSC2)cc1N
InChIInChI=1S/C10H14N2OS/c1-7-4-10(13)12(5-9(7)11)8-2-3-14-6-8/h4-5,8H,2-3,6,11H2,1H3
InChIKeyUUBCNKUKGNCUGS-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.42
Rot. Bonds1

About 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one

5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one (PubChem CID 155858713) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one
PubChem CID155858713
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one
SMILESCc1cc(=O)n(C2CCSC2)cc1N
InChIInChI=1S/C10H14N2OS/c1-7-4-10(13)12(5-9(7)11)8-2-3-14-6-8/h4-5,8H,2-3,6,11H2,1H3
InChIKeyUUBCNKUKGNCUGS-UHFFFAOYSA-N
XLogP1.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one (CID 155858713) is 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one is Cc1cc(=O)n(C2CCSC2)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one?
The InChIKey is UUBCNKUKGNCUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-4-10(13)12(5-9(7)11)8-2-3-14-6-8/h4-5,8H,2-3,6,11H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one?
5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one has a molecular weight of 210.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(thiolan-3-yl)pyridin-2-one is sourced from PubChem (CID 155858713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).