3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide

C15H18N2O4S — CID 154735324

IUPAC3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(N2CCCC(C3OCCO3)C2)c2ccccc21
InChIInChI=1S/C15H18N2O4S/c18-22(19)13-6-2-1-5-12(13)14(16-22)17-7-3-4-11(10-17)15-20-8-9-21-15/h1-2,5-6,11,15H,3-4,7-10H2
InChIKeyNKDKSDTZXAMLEC-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.22
Rot. Bonds1

About 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide

3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide (PubChem CID 154735324) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
PubChem CID154735324
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(N2CCCC(C3OCCO3)C2)c2ccccc21
InChIInChI=1S/C15H18N2O4S/c18-22(19)13-6-2-1-5-12(13)14(16-22)17-7-3-4-11(10-17)15-20-8-9-21-15/h1-2,5-6,11,15H,3-4,7-10H2
InChIKeyNKDKSDTZXAMLEC-UHFFFAOYSA-N
XLogP1.22
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide 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-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1,2-benzothiazole 1,1-dioxide
CID 133352002
1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-amine;hydrochloride
CID 71644216
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 7131081
3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1,2-benzothiazole 1,1-dioxide
CID 102683544
(3S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 8850280
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone
CID 55970169
N-(cyclopentylmethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 55612567
2-oxopropyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 55405004
3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 133462505
2-methoxyethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 46544703
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033278
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 8646482

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide (CID 154735324) is 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(N2CCCC(C3OCCO3)C2)c2ccccc21.
What is the InChIKey of 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The InChIKey is NKDKSDTZXAMLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c18-22(19)13-6-2-1-5-12(13)14(16-22)17-7-3-4-11(10-17)15-20-8-9-21-15/h1-2,5-6,11,15H,3-4,7-10H2.
What are the key properties of 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide has a molecular weight of 322.39 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 154735324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).