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

C7H9N3O2S — CID 10750497

IUPAC3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1Nc2ccncc2S(=O)(=O)N1
InChIInChI=1S/C7H9N3O2S/c1-5-9-6-2-3-8-4-7(6)13(11,12)10-5/h2-5,9-10H,1H3
InChIKeyOXTKQKOHBQWAGE-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.13
Rot. Bonds

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

3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10750497) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10750497
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1Nc2ccncc2S(=O)(=O)N1
InChIInChI=1S/C7H9N3O2S/c1-5-9-6-2-3-8-4-7(6)13(11,12)10-5/h2-5,9-10H,1H3
InChIKeyOXTKQKOHBQWAGE-UHFFFAOYSA-N
XLogP0.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 669138
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CID 902073
4-(Allylamino)-3-pyridinesulfonamide
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4-(Methylhydrazino)-3-pyridinesulfonamide
CID 46704078
4-Ethyl-3,4-Dihydro-2h-Pyrido[3,2-E][1,2,4]thiadiazine 1,1-Dioxide
CID 10013456
4-Ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10608635
N-isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinecarboxamide
CID 1214480
3-Methyl-4H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10397801
3-Methoxy-4a,6-dioxopyrido[1',2':4,3]pyrido[4,3-e][1,2,4]thiadiazine-4-sulfonamide
CID 45028566
N-(tert-butylcarbamoyl)-4-(cyclohexylamino)pyridine-3-sulfonamide
CID 54587369
4-Pyridin-1-ium-1-ylpyridine-3-sulfonamide chloride
CID 54772055

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10750497) is 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CC1Nc2ccncc2S(=O)(=O)N1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is OXTKQKOHBQWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-5-9-6-2-3-8-4-7(6)13(11,12)10-5/h2-5,9-10H,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 199.24 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10750497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).