5-propan-2-ylsulfanyl-1H-pyridin-2-one

C8H11NOS — CID 67480020

IUPAC5-propan-2-ylsulfanyl-1H-pyridin-2-one
SMILESCC(C)Sc1ccc(=O)[nH]c1
InChIInChI=1S/C8H11NOS/c1-6(2)11-7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyMWZRYJMLDCZDHD-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.88
Rot. Bonds2

About 5-propan-2-ylsulfanyl-1H-pyridin-2-one

5-propan-2-ylsulfanyl-1H-pyridin-2-one (PubChem CID 67480020) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-propan-2-ylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-propan-2-ylsulfanyl-1H-pyridin-2-one
PubChem CID67480020
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name5-propan-2-ylsulfanyl-1H-pyridin-2-one
SMILESCC(C)Sc1ccc(=O)[nH]c1
InChIInChI=1S/C8H11NOS/c1-6(2)11-7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10)
InChIKeyMWZRYJMLDCZDHD-UHFFFAOYSA-N
XLogP1.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 5-propan-2-ylsulfanyl-1H-pyridin-2-one (CID 67480020) is 5-propan-2-ylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5-propan-2-ylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5-propan-2-ylsulfanyl-1H-pyridin-2-one is CC(C)Sc1ccc(=O)[nH]c1.
What is the InChIKey of 5-propan-2-ylsulfanyl-1H-pyridin-2-one?
The InChIKey is MWZRYJMLDCZDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6(2)11-7-3-4-8(10)9-5-7/h3-6H,1-2H3,(H,9,10).
What are the key properties of 5-propan-2-ylsulfanyl-1H-pyridin-2-one?
5-propan-2-ylsulfanyl-1H-pyridin-2-one has a molecular weight of 169.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 67480020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).