1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one

C14H16N2O4S — CID 828749

IUPAC1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCCC1
InChIInChI=1S/C14H16N2O4S/c17-13(15-8-4-1-5-9-15)10-16-14(18)11-6-2-3-7-12(11)21(16,19)20/h2-3,6-7H,1,4-5,8-10H2
InChIKeyHUAAVUJJVWUMCT-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.84
Rot. Bonds2

About 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one

1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one (PubChem CID 828749) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one
PubChem CID828749
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCCC1
InChIInChI=1S/C14H16N2O4S/c17-13(15-8-4-1-5-9-15)10-16-14(18)11-6-2-3-7-12(11)21(16,19)20/h2-3,6-7H,1,4-5,8-10H2
InChIKeyHUAAVUJJVWUMCT-UHFFFAOYSA-N
XLogP0.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one?
The IUPAC name of 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one (CID 828749) is 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one is O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCCCC1.
What is the InChIKey of 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one?
The InChIKey is HUAAVUJJVWUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13(15-8-4-1-5-9-15)10-16-14(18)11-6-2-3-7-12(11)21(16,19)20/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one?
1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one has a molecular weight of 308.36 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-(2-oxo-2-piperidin-1-ylethyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 828749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).