1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide

C13H15N3O3S — CID 765151

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C13H15N3O3S/c14-12(17)9-5-7-16(8-6-9)13-10-3-1-2-4-11(10)20(18,19)15-13/h1-4,9H,5-8H2,(H2,14,17)
InChIKeyPAXZTCSGTOVVDC-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.33
Rot. Bonds1

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (PubChem CID 765151) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
PubChem CID765151
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C13H15N3O3S/c14-12(17)9-5-7-16(8-6-9)13-10-3-1-2-4-11(10)20(18,19)15-13/h1-4,9H,5-8H2,(H2,14,17)
InChIKeyPAXZTCSGTOVVDC-UHFFFAOYSA-N
XLogP0.33
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide 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-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (CID 765151) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The InChIKey is PAXZTCSGTOVVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-12(17)9-5-7-16(8-6-9)13-10-3-1-2-4-11(10)20(18,19)15-13/h1-4,9H,5-8H2,(H2,14,17).
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 765151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).