5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one

C10H15NOS — CID 89220715

IUPAC5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one
SMILESCCCSc1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C10H15NOS/c1-4-5-13-9-6-7(2)8(3)11-10(9)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyWOBZQGAHLJUNBP-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.49
Rot. Bonds3

About 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one

5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one (PubChem CID 89220715) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one
PubChem CID89220715
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one
SMILESCCCSc1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C10H15NOS/c1-4-5-13-9-6-7(2)8(3)11-10(9)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyWOBZQGAHLJUNBP-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one (CID 89220715) is 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one is CCCSc1cc(C)c(C)[nH]c1=O.
What is the InChIKey of 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one?
The InChIKey is WOBZQGAHLJUNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-5-13-9-6-7(2)8(3)11-10(9)12/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one?
5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-propylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 89220715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).