5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

C12H12N2O3S — CID 58429269

IUPAC5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2cccc(C3=CCCO3)c21
InChIInChI=1S/C12H12N2O3S/c13-12-11-8(7-18(15,16)14-12)3-1-4-9(11)10-5-2-6-17-10/h1,3-5H,2,6-7H2,(H2,13,14)
InChIKeyYGLYPUNWJBFTPK-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.00
Rot. Bonds1

About 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429269) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429269
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2cccc(C3=CCCO3)c21
InChIInChI=1S/C12H12N2O3S/c13-12-11-8(7-18(15,16)14-12)3-1-4-9(11)10-5-2-6-17-10/h1,3-5H,2,6-7H2,(H2,13,14)
InChIKeyYGLYPUNWJBFTPK-UHFFFAOYSA-N
XLogP1.00
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine with MolForge

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Related Compounds

5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine
CID 123136406
4-amino-2,2-dioxo-1H-2λ6,3-benzothiazine-5-carbaldehyde
CID 159962732
2,2-dioxo-5-prop-1-en-2-yl-1H-2λ6,3-benzothiazin-4-amine
CID 58429386
5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429326
5-[(E)-3-methoxyprop-1-enyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429745
2,2-dioxo-5-pentan-3-yloxy-1H-2λ6,3-benzothiazin-4-amine
CID 58429310
5-(3-methoxypropoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429353
5-butoxy-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429548
5-N-hexyl-2,2-dioxo-1H-2λ6,3-benzothiazine-4,5-diamine
CID 58429255
5-(2-methylidenebutoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429415
5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429557
5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429236

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429269) is 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is NC1=NS(=O)(=O)Cc2cccc(C3=CCCO3)c21.
What is the InChIKey of 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is YGLYPUNWJBFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-12-11-8(7-18(15,16)14-12)3-1-4-9(11)10-5-2-6-17-10/h1,3-5H,2,6-7H2,(H2,13,14).
What are the key properties of 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 264.31 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).