6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide

C8H9NO3S — CID 58168656

IUPAC6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide
SMILESCc1ccc2c(n1)OCCS2(=O)=O
InChIInChI=1S/C8H9NO3S/c1-6-2-3-7-8(9-6)12-4-5-13(7,10)11/h2-3H,4-5H2,1H3
InChIKeyWLXGXBKTZLAHRJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.56
Rot. Bonds

About 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide

6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide (PubChem CID 58168656) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide
PubChem CID58168656
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide
SMILESCc1ccc2c(n1)OCCS2(=O)=O
InChIInChI=1S/C8H9NO3S/c1-6-2-3-7-8(9-6)12-4-5-13(7,10)11/h2-3H,4-5H2,1H3
InChIKeyWLXGXBKTZLAHRJ-UHFFFAOYSA-N
XLogP0.56
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide?
The IUPAC name of 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide (CID 58168656) is 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide.
What is the SMILES notation for 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide?
The canonical SMILES for 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide is Cc1ccc2c(n1)OCCS2(=O)=O.
What is the InChIKey of 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide?
The InChIKey is WLXGXBKTZLAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-6-2-3-7-8(9-6)12-4-5-13(7,10)11/h2-3H,4-5H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide?
6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide has a molecular weight of 199.23 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-[1,4]oxathiino[2,3-b]pyridine 1,1-dioxide is sourced from PubChem (CID 58168656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).