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

C7H7N3O2S — CID 10035597

IUPAC2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCN1C=Nc2ccncc2S1(=O)=O
InChIInChI=1S/C7H7N3O2S/c1-10-5-9-6-2-3-8-4-7(6)13(10,11)12/h2-5H,1H3
InChIKeyOWBCRIYPODGQKN-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.38
Rot. Bonds

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

2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10035597) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10035597
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCN1C=Nc2ccncc2S1(=O)=O
InChIInChI=1S/C7H7N3O2S/c1-10-5-9-6-2-3-8-4-7(6)13(10,11)12/h2-5H,1H3
InChIKeyOWBCRIYPODGQKN-UHFFFAOYSA-N
XLogP0.38
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10035597) is 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CN1C=Nc2ccncc2S1(=O)=O.
What is the InChIKey of 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is OWBCRIYPODGQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-10-5-9-6-2-3-8-4-7(6)13(10,11)12/h2-5H,1H3.
What are the key properties of 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 197.22 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10035597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).