4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C15H21N3O2S — CID 10709882

IUPAC4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C1CCCCCCC1
InChIInChI=1S/C15H21N3O2S/c1-12-17-21(19,20)15-11-16-10-9-14(15)18(12)13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3
InChIKeyOCVQCJVHAGMMLX-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.12
Rot. Bonds1

About 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10709882) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10709882
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cnccc2N1C1CCCCCCC1
InChIInChI=1S/C15H21N3O2S/c1-12-17-21(19,20)15-11-16-10-9-14(15)18(12)13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3
InChIKeyOCVQCJVHAGMMLX-UHFFFAOYSA-N
XLogP3.12
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10709882) is 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cnccc2N1C1CCCCCCC1.
What is the InChIKey of 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is OCVQCJVHAGMMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-17-21(19,20)15-11-16-10-9-14(15)18(12)13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 307.42 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyl-3-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).