2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

C8H8N2O3S — CID 70870893

IUPAC2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESNC1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C8H8N2O3S/c9-7-8(11)10-5-3-1-2-4-6(5)14(7,12)13/h1-4,7H,9H2,(H,10,11)
InChIKeyDTFMKXZVFFFJQL-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.30
Rot. Bonds

About 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (PubChem CID 70870893) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
PubChem CID70870893
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESNC1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C8H8N2O3S/c9-7-8(11)10-5-3-1-2-4-6(5)14(7,12)13/h1-4,7H,9H2,(H,10,11)
InChIKeyDTFMKXZVFFFJQL-UHFFFAOYSA-N
XLogP-0.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The IUPAC name of 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (CID 70870893) is 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.
What is the SMILES notation for 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The canonical SMILES for 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is NC1C(=O)Nc2ccccc2S1(=O)=O.
What is the InChIKey of 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The InChIKey is DTFMKXZVFFFJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c9-7-8(11)10-5-3-1-2-4-6(5)14(7,12)13/h1-4,7H,9H2,(H,10,11).
What are the key properties of 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one has a molecular weight of 212.23 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is sourced from PubChem (CID 70870893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).