6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide

C9H11NOS — CID 130251309

IUPAC6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide
SMILESCc1ccc2c(n1)CCCS2=O
InChIInChI=1S/C9H11NOS/c1-7-4-5-9-8(10-7)3-2-6-12(9)11/h4-5H,2-3,6H2,1H3
InChIKeyVIAZXQVVKFFOLX-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.44
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide

6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide (PubChem CID 130251309) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide
PubChem CID130251309
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide
SMILESCc1ccc2c(n1)CCCS2=O
InChIInChI=1S/C9H11NOS/c1-7-4-5-9-8(10-7)3-2-6-12(9)11/h4-5H,2-3,6H2,1H3
InChIKeyVIAZXQVVKFFOLX-UHFFFAOYSA-N
XLogP1.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-[3-(phenylthio)prop-1-yn-1-yl]pyridine
CID 11333903
6-Fluoro-2-methyl-3-(methylsulfonyl)pyridine
CID 58493725
2,6-Dimethylpyridine-3-sulfonyl chloride
CID 84071270
2-Methyl-6-(3-(phenylsulfinyl)prop-1-ynyl)pyridine
CID 44415982
2,6-Bis(methylthiomethyl)pyridine
CID 428020
2,6-Bis(ethylthiomethyl)pyridine
CID 15911202
2-Picoline, 6-(ethylthio)-
CID 577760
2-Methyl-6-(methylthio)pyridine
CID 587005
2-Methyl-6-(thiophen-2-yl)pyridine
CID 20385913
2-(Allylsulfonyl)-6-methylpyridine
CID 164185579
2-Methyl-6-((phenylthio)methyl)pyridine
CID 15478590
2,6-Bis(tert-butylsulfanylmethyl)pyridine
CID 15911204

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide?
The IUPAC name of 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide (CID 130251309) is 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide is Cc1ccc2c(n1)CCCS2=O.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide?
The InChIKey is VIAZXQVVKFFOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7-4-5-9-8(10-7)3-2-6-12(9)11/h4-5H,2-3,6H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide?
6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide has a molecular weight of 181.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine 1-oxide is sourced from PubChem (CID 130251309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).