8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C9H11N3O3S — CID 12921370

IUPAC8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)Nc2cccc(CN)c2S1(=O)=O
InChIInChI=1S/C9H11N3O3S/c1-12-9(13)11-7-4-2-3-6(5-10)8(7)16(12,14)15/h2-4H,5,10H2,1H3,(H,11,13)
InChIKeyPVRDBDJJBFMNEA-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.31
Rot. Bonds1

About 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 12921370) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID12921370
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCN1C(=O)Nc2cccc(CN)c2S1(=O)=O
InChIInChI=1S/C9H11N3O3S/c1-12-9(13)11-7-4-2-3-6(5-10)8(7)16(12,14)15/h2-4H,5,10H2,1H3,(H,11,13)
InChIKeyPVRDBDJJBFMNEA-UHFFFAOYSA-N
XLogP0.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one with MolForge

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Related Compounds

4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 11615432
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
3-Methyl-2-Oxo-N-Phenyl-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 71271969
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
5-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 12528487
6,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 15230629
4-(3-Benzylureido)Benzenesulfonamide
CID 20694083
4-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
CID 71271375
2-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
CID 71271897
2-fluoro-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
CID 71272064
N-Ethyl-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 66553124
5,8-dimethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
CID 10059582

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 12921370) is 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is CN1C(=O)Nc2cccc(CN)c2S1(=O)=O.
What is the InChIKey of 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is PVRDBDJJBFMNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-12-9(13)11-7-4-2-3-6(5-10)8(7)16(12,14)15/h2-4H,5,10H2,1H3,(H,11,13).
What are the key properties of 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 241.27 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 12921370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).