6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

C12H13FN2O2S — CID 58429325

IUPAC6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESCC(C)=Cc1c(F)ccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C12H13FN2O2S/c1-7(2)5-9-10(13)4-3-8-6-18(16,17)15-12(14)11(8)9/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyXLSNOGMPNKZZAO-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.80
Rot. Bonds1

About 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429325) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429325
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESCC(C)=Cc1c(F)ccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C12H13FN2O2S/c1-7(2)5-9-10(13)4-3-8-6-18(16,17)15-12(14)11(8)9/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyXLSNOGMPNKZZAO-UHFFFAOYSA-N
XLogP1.80
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429325) is 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is CC(C)=Cc1c(F)ccc2c1C(N)=NS(=O)(=O)C2.
What is the InChIKey of 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is XLSNOGMPNKZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c1-7(2)5-9-10(13)4-3-8-6-18(16,17)15-12(14)11(8)9/h3-5H,6H2,1-2H3,(H2,14,15).
What are the key properties of 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 268.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(2-methylprop-1-enyl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).