2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one

C12H13NO2S2 — CID 117062550

IUPAC2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one
SMILESCCCc1c(S(C)=O)sc2ncccc2c1=O
InChIInChI=1S/C12H13NO2S2/c1-3-5-9-10(14)8-6-4-7-13-11(8)16-12(9)17(2)15/h4,6-7H,3,5H2,1-2H3
InChIKeyXAGVWFVRYAOMHW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.35
Rot. Bonds3

About 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one

2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one (PubChem CID 117062550) has the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one
PubChem CID117062550
Molecular FormulaC12H13NO2S2
Molecular Weight267.37 g/mol
Exact Mass267.04
IUPAC Name2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one
SMILESCCCc1c(S(C)=O)sc2ncccc2c1=O
InChIInChI=1S/C12H13NO2S2/c1-3-5-9-10(14)8-6-4-7-13-11(8)16-12(9)17(2)15/h4,6-7H,3,5H2,1-2H3
InChIKeyXAGVWFVRYAOMHW-UHFFFAOYSA-N
XLogP2.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374274
2,3-dipropylthiochromen-4-one
CID 101499421
3-methylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374291
2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine
CID 15035747
tert-butyl 3-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)azetidine-1-carboxylate
CID 68515901
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271647
tert-butyl 2-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 68521240
5-ethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 11230382
3-butylsulfanylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67872843
6-ethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 71072826
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one?
The IUPAC name of 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one (CID 117062550) is 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one is CCCc1c(S(C)=O)sc2ncccc2c1=O.
What is the InChIKey of 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one?
The InChIKey is XAGVWFVRYAOMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-5-9-10(14)8-6-4-7-13-11(8)16-12(9)17(2)15/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one?
2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one has a molecular weight of 267.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-3-propylthiopyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 117062550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).