N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide

C14H19N3O2S2 — CID 128846185

IUPACN-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide
SMILESCC1(C)CNCCC1NS(=O)(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H19N3O2S2/c1-14(2)8-15-6-5-13(14)17-21(18,19)10-3-4-11-12(7-10)20-9-16-11/h3-4,7,9,13,15,17H,5-6,8H2,1-2H3
InChIKeyBNBVEHDALXJUCY-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.96
Rot. Bonds3

About N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide

N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide (PubChem CID 128846185) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide
PubChem CID128846185
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide
SMILESCC1(C)CNCCC1NS(=O)(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H19N3O2S2/c1-14(2)8-15-6-5-13(14)17-21(18,19)10-3-4-11-12(7-10)20-9-16-11/h3-4,7,9,13,15,17H,5-6,8H2,1-2H3
InChIKeyBNBVEHDALXJUCY-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,3-benzothiazole-6-sulfonamide
CID 127912473
N-(azepan-4-yl)-1,3-benzothiazol-6-amine
CID 107803941
N-(1-propylsulfonylpiperidin-4-yl)-1,3-benzothiazole-5-sulfonamide
CID 146150664
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1,3-benzothiazole-6-sulfonamide
CID 68950626
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 79878268
N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
CID 74225339
N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 79873051
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide
CID 107805165
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
(3S,4R)-3-methyl-N-[(2-methylpropan-2-yl)oxy]-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
CID 86607899
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 107801209

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide (CID 128846185) is N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide is CC1(C)CNCCC1NS(=O)(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide?
The InChIKey is BNBVEHDALXJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-14(2)8-15-6-5-13(14)17-21(18,19)10-3-4-11-12(7-10)20-9-16-11/h3-4,7,9,13,15,17H,5-6,8H2,1-2H3.
What are the key properties of N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide?
N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpiperidin-4-yl)-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 128846185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).