1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one

C15H13NO3S — CID 2799884

IUPAC1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NO3S/c17-15-11-20(18,19)16(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-9H,10-11H2
InChIKeyPMVMITAPYZEZEW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.22
Rot. Bonds2

About 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one

1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one (PubChem CID 2799884) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one.

Molecular Properties

Compound Name1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one
PubChem CID2799884
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NO3S/c17-15-11-20(18,19)16(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-9H,10-11H2
InChIKeyPMVMITAPYZEZEW-UHFFFAOYSA-N
XLogP2.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one?
The IUPAC name of 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one (CID 2799884) is 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one.
What is the SMILES notation for 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one?
The canonical SMILES for 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one is O=C1CS(=O)(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one?
The InChIKey is PMVMITAPYZEZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-15-11-20(18,19)16(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-9H,10-11H2.
What are the key properties of 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one?
1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one has a molecular weight of 287.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one is sourced from PubChem (CID 2799884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).