8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide

C10H10N2O3S2 — CID 722139

IUPAC8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide
SMILESCOc1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C10H10N2O3S2/c1-15-7-2-3-8-9(6-7)16-10-11-17(13,14)5-4-12(8)10/h2-3,6H,4-5H2,1H3
InChIKeyQDKKBUZCNKLPNQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.31
Rot. Bonds1

About 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide

8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide (PubChem CID 722139) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide
PubChem CID722139
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide
SMILESCOc1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C10H10N2O3S2/c1-15-7-2-3-8-9(6-7)16-10-11-17(13,14)5-4-12(8)10/h2-3,6H,4-5H2,1H3
InChIKeyQDKKBUZCNKLPNQ-UHFFFAOYSA-N
XLogP1.31
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide?
The IUPAC name of 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide (CID 722139) is 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide.
What is the SMILES notation for 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide?
The canonical SMILES for 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide is COc1ccc2c(c1)SC1=NS(=O)(=O)CCN12.
What is the InChIKey of 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide?
The InChIKey is QDKKBUZCNKLPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-15-7-2-3-8-9(6-7)16-10-11-17(13,14)5-4-12(8)10/h2-3,6H,4-5H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide?
8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide has a molecular weight of 270.33 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole 2,2-dioxide is sourced from PubChem (CID 722139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).