1-(thietan-3-yl)pyridin-2-one

C8H9NOS — CID 10057899

IUPAC1-(thietan-3-yl)pyridin-2-one
SMILESO=c1ccccn1C1CSC1
InChIInChI=1S/C8H9NOS/c10-8-3-1-2-4-9(8)7-5-11-6-7/h1-4,7H,5-6H2
InChIKeyHLZFFXNUFSJPDJ-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.14
Rot. Bonds1

About 1-(thietan-3-yl)pyridin-2-one

1-(thietan-3-yl)pyridin-2-one (PubChem CID 10057899) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(thietan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(thietan-3-yl)pyridin-2-one
PubChem CID10057899
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-(thietan-3-yl)pyridin-2-one
SMILESO=c1ccccn1C1CSC1
InChIInChI=1S/C8H9NOS/c10-8-3-1-2-4-9(8)7-5-11-6-7/h1-4,7H,5-6H2
InChIKeyHLZFFXNUFSJPDJ-UHFFFAOYSA-N
XLogP1.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thietan-3-yl)pyridin-2-one?
The IUPAC name of 1-(thietan-3-yl)pyridin-2-one (CID 10057899) is 1-(thietan-3-yl)pyridin-2-one.
What is the SMILES notation for 1-(thietan-3-yl)pyridin-2-one?
The canonical SMILES for 1-(thietan-3-yl)pyridin-2-one is O=c1ccccn1C1CSC1.
What is the InChIKey of 1-(thietan-3-yl)pyridin-2-one?
The InChIKey is HLZFFXNUFSJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-8-3-1-2-4-9(8)7-5-11-6-7/h1-4,7H,5-6H2.
What are the key properties of 1-(thietan-3-yl)pyridin-2-one?
1-(thietan-3-yl)pyridin-2-one has a molecular weight of 167.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thietan-3-yl)pyridin-2-one is sourced from PubChem (CID 10057899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).