1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one

C13H11NO3S2 — CID 22424242

IUPAC1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccccc2)c2ccsc21
InChIInChI=1S/C13H11NO3S2/c15-12-9-19(16,17)14(11-6-7-18-13(11)12)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyRKYGHIUOUCOIBX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.28
Rot. Bonds2

About 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one

1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one (PubChem CID 22424242) has the molecular formula C13H11NO3S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one.

Molecular Properties

Compound Name1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one
PubChem CID22424242
Molecular FormulaC13H11NO3S2
Molecular Weight293.37 g/mol
Exact Mass293.02
IUPAC Name1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccccc2)c2ccsc21
InChIInChI=1S/C13H11NO3S2/c15-12-9-19(16,17)14(11-6-7-18-13(11)12)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyRKYGHIUOUCOIBX-UHFFFAOYSA-N
XLogP2.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The IUPAC name of 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one (CID 22424242) is 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one.
What is the SMILES notation for 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The canonical SMILES for 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one is O=C1CS(=O)(=O)N(Cc2ccccc2)c2ccsc21.
What is the InChIKey of 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The InChIKey is RKYGHIUOUCOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S2/c15-12-9-19(16,17)14(11-6-7-18-13(11)12)8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one has a molecular weight of 293.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-one is sourced from PubChem (CID 22424242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).