4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C7H9N3O2S — CID 10845683

IUPAC4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2cnccc21
InChIInChI=1S/C7H9N3O2S/c1-10-5-9-13(11,12)7-4-8-3-2-6(7)10/h2-4,9H,5H2,1H3
InChIKeyKMFXWCBZHDFSFC-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.23
Rot. Bonds

About 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10845683) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10845683
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2cnccc21
InChIInChI=1S/C7H9N3O2S/c1-10-5-9-13(11,12)7-4-8-3-2-6(7)10/h2-4,9H,5H2,1H3
InChIKeyKMFXWCBZHDFSFC-UHFFFAOYSA-N
XLogP-0.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10845683) is 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CN1CNS(=O)(=O)c2cnccc21.
What is the InChIKey of 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is KMFXWCBZHDFSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-10-5-9-13(11,12)7-4-8-3-2-6(7)10/h2-4,9H,5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 199.24 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10845683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).