2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone

C12H16N2O3S — CID 84640784

IUPAC2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
SMILESCc1ccc2c(c1)N(C(=O)CN)C(C)CS2(=O)=O
InChIInChI=1S/C12H16N2O3S/c1-8-3-4-11-10(5-8)14(12(15)6-13)9(2)7-18(11,16)17/h3-5,9H,6-7,13H2,1-2H3
InChIKeyFWUWTLGELOJQCL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.46
Rot. Bonds1

About 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone

2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone (PubChem CID 84640784) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
PubChem CID84640784
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
SMILESCc1ccc2c(c1)N(C(=O)CN)C(C)CS2(=O)=O
InChIInChI=1S/C12H16N2O3S/c1-8-3-4-11-10(5-8)14(12(15)6-13)9(2)7-18(11,16)17/h3-5,9H,6-7,13H2,1-2H3
InChIKeyFWUWTLGELOJQCL-UHFFFAOYSA-N
XLogP0.46
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone 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

3-(3,7-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propanoic acid
CID 84643251
3-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 117201791
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84636363
2-amino-1-(5,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84627523
3-(3-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine
CID 84635283
2-amino-1-(3,5,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633871
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
1-[(1aR,8bS)-2,2,6-trimethyl-1,1a,3,8b-tetrahydrocyclopropa[d][1]benzazepin-4-yl]-2-aminoethanone
CID 70837448
1-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 117201778
[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine
CID 62307797
2-amino-1-(5-bromo-3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84645572

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone (CID 84640784) is 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone is Cc1ccc2c(c1)N(C(=O)CN)C(C)CS2(=O)=O.
What is the InChIKey of 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone?
The InChIKey is FWUWTLGELOJQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-3-4-11-10(5-8)14(12(15)6-13)9(2)7-18(11,16)17/h3-5,9H,6-7,13H2,1-2H3.
What are the key properties of 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone?
2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone has a molecular weight of 268.34 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 84640784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).