3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C7H7N3O3S — CID 119084853

IUPAC3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCOC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C7H7N3O3S/c1-13-7-9-5-2-3-8-4-6(5)14(11,12)10-7/h2-4H,1H3,(H,9,10)
InChIKeyRKSBYIPMRVLPKD-UHFFFAOYSA-N
MW213.22 g/mol
LogP0.20
Rot. Bonds

About 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 119084853) has the molecular formula C7H7N3O3S and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID119084853
Molecular FormulaC7H7N3O3S
Molecular Weight213.22 g/mol
Exact Mass213.02
IUPAC Name3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCOC1=NS(=O)(=O)c2cnccc2N1
InChIInChI=1S/C7H7N3O3S/c1-13-7-9-5-2-3-8-4-6(5)14(11,12)10-7/h2-4H,1H3,(H,9,10)
InChIKeyRKSBYIPMRVLPKD-UHFFFAOYSA-N
XLogP0.20
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 67644801
4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10012589
N-(3,3-dimethylbutan-2-yl)-1,1-dioxo-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine
CID 135400946
7-fluoro-N-methyl-1,1-dioxo-N-pyridin-3-yl-4H-1λ6,2,4-benzothiadiazin-3-amine
CID 70236825
3,7-diazabicyclo[4.1.0]hepta-1(6),2,4-triene
CID 139787035
3-ethoxy-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazin-4-amine
CID 152517599
6-chloro-N-methyl-1,1-dioxo-N-pyridin-3-yl-4H-1λ6,2,4-benzothiadiazin-3-amine
CID 70237296
2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10658688
6,7-dimethoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
CID 134093894
3,3-dimethyl-2H-thieno[2,3-c]pyridine 1,1-dioxide
CID 21300229
3-(trideuteriomethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 169443474
3-(5-bromo-2-methoxyphenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 132591524

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 119084853) is 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is COC1=NS(=O)(=O)c2cnccc2N1.
What is the InChIKey of 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is RKSBYIPMRVLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S/c1-13-7-9-5-2-3-8-4-6(5)14(11,12)10-7/h2-4H,1H3,(H,9,10).
What are the key properties of 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 213.22 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 119084853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).