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

C13H11NO3S2 — CID 134716026

IUPAC1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol
SMILESO=S1(=O)C=C(O)c2sccc2N1Cc1ccccc1
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/h1-7,9,15H,8H2
InChIKeyDMJNTNGUJREQDS-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.95
Rot. Bonds2

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

1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol (PubChem CID 134716026) 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-ol.

Molecular Properties

Compound Name1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol
PubChem CID134716026
Molecular FormulaC13H11NO3S2
Molecular Weight293.37 g/mol
Exact Mass293.02
IUPAC Name1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol
SMILESO=S1(=O)C=C(O)c2sccc2N1Cc1ccccc1
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/h1-7,9,15H,8H2
InChIKeyDMJNTNGUJREQDS-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
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-ol?
The IUPAC name of 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol (CID 134716026) is 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol.
What is the SMILES notation for 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The canonical SMILES for 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol is O=S1(=O)C=C(O)c2sccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The InChIKey is DMJNTNGUJREQDS-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/h1-7,9,15H,8H2.
What are the key properties of 1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol?
1-benzyl-2,2-dioxothieno[3,2-c]thiazin-4-ol has a molecular weight of 293.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 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-ol is sourced from PubChem (CID 134716026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).