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

C9H12N2O2S — CID 136576248

IUPAC1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine
SMILESCN1c2ccccc2C(N)CS1(=O)=O
InChIInChI=1S/C9H12N2O2S/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13/h2-5,8H,6,10H2,1H3
InChIKeyNMUPIDIBAXWQRQ-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.47
Rot. Bonds

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

1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine (PubChem CID 136576248) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine
PubChem CID136576248
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine
SMILESCN1c2ccccc2C(N)CS1(=O)=O
InChIInChI=1S/C9H12N2O2S/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13/h2-5,8H,6,10H2,1H3
InChIKeyNMUPIDIBAXWQRQ-UHFFFAOYSA-N
XLogP0.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine?
The IUPAC name of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine (CID 136576248) is 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine.
What is the SMILES notation for 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine?
The canonical SMILES for 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine is CN1c2ccccc2C(N)CS1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine?
The InChIKey is NMUPIDIBAXWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13/h2-5,8H,6,10H2,1H3.
What are the key properties of 1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine?
1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-amine has a molecular weight of 212.27 g/mol, XLogP of 0.47, 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 is sourced from PubChem (CID 136576248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).