N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide

C15H21N3O4S3 — CID 146150664

IUPACN-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide
SMILESCCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3scnc3c2)CC1
InChIInChI=1S/C15H21N3O4S3/c1-2-9-24(19,20)18-7-5-12(6-8-18)17-25(21,22)13-3-4-15-14(10-13)16-11-23-15/h3-4,10-12,17H,2,5-9H2,1H3
InChIKeyVTSCMYRZASAGDO-UHFFFAOYSA-N
MW403.55 g/mol
LogP1.78
Rot. Bonds6

About N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide

N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide (PubChem CID 146150664) has the molecular formula C15H21N3O4S3 and a molecular weight of 403.55 g/mol. Its IUPAC name is N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide
PubChem CID146150664
Molecular FormulaC15H21N3O4S3
Molecular Weight403.55 g/mol
Exact Mass403.07
IUPAC NameN-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide
SMILESCCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3scnc3c2)CC1
InChIInChI=1S/C15H21N3O4S3/c1-2-9-24(19,20)18-7-5-12(6-8-18)17-25(21,22)13-3-4-15-14(10-13)16-11-23-15/h3-4,10-12,17H,2,5-9H2,1H3
InChIKeyVTSCMYRZASAGDO-UHFFFAOYSA-N
XLogP1.78
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide 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

3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 55572265
2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
CID 61047090
N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide
CID 127912473
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
5-nitro-N-(1-propylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 47053949

Frequently Asked Questions

What is the IUPAC name of N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide?
The IUPAC name of N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide (CID 146150664) is N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide.
What is the SMILES notation for N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide?
The canonical SMILES for N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide is CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc3scnc3c2)CC1.
What is the InChIKey of N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide?
The InChIKey is VTSCMYRZASAGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S3/c1-2-9-24(19,20)18-7-5-12(6-8-18)17-25(21,22)13-3-4-15-14(10-13)16-11-23-15/h3-4,10-12,17H,2,5-9H2,1H3.
What are the key properties of N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide?
N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide has a molecular weight of 403.55 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide is sourced from PubChem (CID 146150664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).