2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

C11H14N2O3S — CID 84635233

IUPAC2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)S(=O)(=O)C(CN)C(=O)N2
InChIInChI=1S/C11H14N2O3S/c1-6-3-8-9(4-7(6)2)17(15,16)10(5-12)11(14)13-8/h3-4,10H,5,12H2,1-2H3,(H,13,14)
InChIKeyFLIKEJDVUBMKRU-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.36
Rot. Bonds1

About 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (PubChem CID 84635233) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
PubChem CID84635233
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESCc1cc2c(cc1C)S(=O)(=O)C(CN)C(=O)N2
InChIInChI=1S/C11H14N2O3S/c1-6-3-8-9(4-7(6)2)17(15,16)10(5-12)11(14)13-8/h3-4,10H,5,12H2,1-2H3,(H,13,14)
InChIKeyFLIKEJDVUBMKRU-UHFFFAOYSA-N
XLogP0.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one with MolForge

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Related Compounds

2,6,7-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84629443
2-(2-aminoethyl)-7-methyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84635223
2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one
CID 84624163
2-(7-methyl-1,1,3-trioxo-4H-1λ6,4-benzothiazin-2-yl)acetonitrile
CID 84633716
2,6,7-trimethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84624940
7-bromo-2-[2-(methylamino)ethyl]-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84646372
7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 103594407
5,6-dimethyl-2-(methylaminomethyl)-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84640770
3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82112600
2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide
CID 44725832
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
CID 2897145
5-methyl-2-[2-(methylamino)ethyl]-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84640759

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The IUPAC name of 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (CID 84635233) is 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.
What is the SMILES notation for 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The canonical SMILES for 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is Cc1cc2c(cc1C)S(=O)(=O)C(CN)C(=O)N2.
What is the InChIKey of 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The InChIKey is FLIKEJDVUBMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-3-8-9(4-7(6)2)17(15,16)10(5-12)11(14)13-8/h3-4,10H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one has a molecular weight of 254.31 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,7-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is sourced from PubChem (CID 84635233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).