N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine

C11H15N3O2S — CID 12921362

IUPACN,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine
SMILESCC1=NS(=O)(=O)c2ccc(CN(C)C)cc2N1
InChIInChI=1S/C11H15N3O2S/c1-8-12-10-6-9(7-14(2)3)4-5-11(10)17(15,16)13-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyGXMQYYSGFJPPAS-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.28
Rot. Bonds2

About N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine

N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine (PubChem CID 12921362) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine
PubChem CID12921362
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine
SMILESCC1=NS(=O)(=O)c2ccc(CN(C)C)cc2N1
InChIInChI=1S/C11H15N3O2S/c1-8-12-10-6-9(7-14(2)3)4-5-11(10)17(15,16)13-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyGXMQYYSGFJPPAS-UHFFFAOYSA-N
XLogP1.28
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methyl-2-methylsulfonylaniline
CID 10221005
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
CID 69760
2H-1,2,4-Benzothiadiazine-6-methanamine, 3-methyl-, 1,1-dioxide, monohydrochloride
CID 3061886
4-(3-fluorobenzyl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137833
N-[2,2,2-trifluoro-N-(3-methylphenyl)ethanimidoyl]benzenesulfonamide
CID 6852774
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonyl-5-(trifluoromethyl)aniline
CID 11059195
6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 121929
3-(4-fluorophenyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 4132406
2H-1,2,4-Benzothiadiazine-3-methanamine, 1,1-dioxide
CID 199850
Benzenesulfonamide, N-(1-ethyl-2-pyrrolidinylidene)-4-((phenylmethyl)amino)-
CID 6510236
4-[(3-Fluorophenyl)methyl]-3-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 4275514

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine (CID 12921362) is N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine is CC1=NS(=O)(=O)c2ccc(CN(C)C)cc2N1.
What is the InChIKey of N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine?
The InChIKey is GXMQYYSGFJPPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-12-10-6-9(7-14(2)3)4-5-11(10)17(15,16)13-8/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine?
N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine has a molecular weight of 253.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-yl)methanamine is sourced from PubChem (CID 12921362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).