2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide

C11H15NOS — CID 122696594

IUPAC2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide
SMILESCC(C)c1ccc2c(n1)CS(=O)CC2
InChIInChI=1S/C11H15NOS/c1-8(2)10-4-3-9-5-6-14(13)7-11(9)12-10/h3-4,8H,5-7H2,1-2H3
InChIKeyFNYGULWOMSXIHN-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.01
Rot. Bonds1

About 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide

2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide (PubChem CID 122696594) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide.

Molecular Properties

Compound Name2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide
PubChem CID122696594
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide
SMILESCC(C)c1ccc2c(n1)CS(=O)CC2
InChIInChI=1S/C11H15NOS/c1-8(2)10-4-3-9-5-6-14(13)7-11(9)12-10/h3-4,8H,5-7H2,1-2H3
InChIKeyFNYGULWOMSXIHN-UHFFFAOYSA-N
XLogP2.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide?
The IUPAC name of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide (CID 122696594) is 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide.
What is the SMILES notation for 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide?
The canonical SMILES for 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide is CC(C)c1ccc2c(n1)CS(=O)CC2.
What is the InChIKey of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide?
The InChIKey is FNYGULWOMSXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(2)10-4-3-9-5-6-14(13)7-11(9)12-10/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide?
2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide has a molecular weight of 209.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine 7-oxide is sourced from PubChem (CID 122696594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).