1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride

C9H13ClN2O2S — CID 136576247

IUPAC1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride
SMILESCN1c2ccccc2C(N)CS1(=O)=O.Cl
InChIInChI=1S/C9H12N2O2S.ClH/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13;/h2-5,8H,6,10H2,1H3;1H
InChIKeyQEKUQGKLOHZTSL-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.89
Rot. Bonds

About 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride

1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride (PubChem CID 136576247) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride
PubChem CID136576247
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride
SMILESCN1c2ccccc2C(N)CS1(=O)=O.Cl
InChIInChI=1S/C9H12N2O2S.ClH/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13;/h2-5,8H,6,10H2,1H3;1H
InChIKeyQEKUQGKLOHZTSL-UHFFFAOYSA-N
XLogP0.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride 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

(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
ethane;1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 142426417
1-ethyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-ol
CID 121199663
3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 22312414
azane;11-chloro-6-methyl-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide;6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-amine;6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
CID 159333867
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
CID 70997252
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
(3R,3aS,9bS)-1,5-dimethyl-3-phenyl-2,3,3a,9b-tetrahydropyrrolo[3,2-c][2,1]benzothiazine 4,4-dioxide
CID 139228443

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride?
The IUPAC name of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride (CID 136576247) is 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride.
What is the SMILES notation for 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride?
The canonical SMILES for 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride is CN1c2ccccc2C(N)CS1(=O)=O.Cl.
What is the InChIKey of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride?
The InChIKey is QEKUQGKLOHZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.ClH/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13;/h2-5,8H,6,10H2,1H3;1H.
What are the key properties of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride?
1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride has a molecular weight of 248.73 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine;hydrochloride is sourced from PubChem (CID 136576247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).