4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one

C11H11N3O3S — CID 15169816

IUPAC4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one
SMILESO=C1CN(C2=NS(=O)(=O)c3ccccc32)CCN1
InChIInChI=1S/C11H11N3O3S/c15-10-7-14(6-5-12-10)11-8-3-1-2-4-9(8)18(16,17)13-11/h1-4H,5-7H2,(H,12,15)
InChIKeyJGQLSCMWEYWRPG-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.43
Rot. Bonds

About 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one

4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one (PubChem CID 15169816) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one
PubChem CID15169816
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one
SMILESO=C1CN(C2=NS(=O)(=O)c3ccccc32)CCN1
InChIInChI=1S/C11H11N3O3S/c15-10-7-14(6-5-12-10)11-8-3-1-2-4-9(8)18(16,17)13-11/h1-4H,5-7H2,(H,12,15)
InChIKeyJGQLSCMWEYWRPG-UHFFFAOYSA-N
XLogP-0.43
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one?
The IUPAC name of 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one (CID 15169816) is 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one.
What is the SMILES notation for 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one?
The canonical SMILES for 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one is O=C1CN(C2=NS(=O)(=O)c3ccccc32)CCN1.
What is the InChIKey of 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one?
The InChIKey is JGQLSCMWEYWRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c15-10-7-14(6-5-12-10)11-8-3-1-2-4-9(8)18(16,17)13-11/h1-4H,5-7H2,(H,12,15).
What are the key properties of 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one?
4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one has a molecular weight of 265.29 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-2-one is sourced from PubChem (CID 15169816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).