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

Related Compounds

3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione
CID 695718
1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 685567
1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one
CID 742754
3-Morpholin-4-yl-benzo[d]isothiazole 1,1-dioxide
CID 433486
Benzisothiazole sulphoxide
CID 15698633
(E)-1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 1125236
3-[3-(Trifluoromethyl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 4885395
S7AR22YC9N
CID 15169816
2-[(1,1-Dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 45796007
Ethyl 1-(1,1-dioxido-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 594048
1,2-Benzisothiazole, 3-piperidino-, 1,1-dioxide
CID 100619
3-[Amino-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 829192

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).