N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide

C16H21N3O3S2 — CID 2138904

IUPACN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C16H21N3O3S2/c1-2-6-15(20)18-16-17-13-8-7-12(11-14(13)23-16)24(21,22)19-9-4-3-5-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,18,20)
InChIKeyVDKXNOUYGDWBJN-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.21
Rot. Bonds5

About N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide

N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 2138904) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID2138904
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C16H21N3O3S2/c1-2-6-15(20)18-16-17-13-8-7-12(11-14(13)23-16)24(21,22)19-9-4-3-5-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,18,20)
InChIKeyVDKXNOUYGDWBJN-UHFFFAOYSA-N
XLogP3.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 541218
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
2-(Acetoacetamido)benzothiazole
CID 20820
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
Acetamide, N-2-benzothiazolyl-
CID 350459
N-[6-(methylsulfonyl)benzothiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1271512
N-(2-fluorophenyl)-N'-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea
CID 2242090
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 4880510
2-Acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester
CID 660642
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3242369

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide (CID 2138904) is N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1.
What is the InChIKey of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is VDKXNOUYGDWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-2-6-15(20)18-16-17-13-8-7-12(11-14(13)23-16)24(21,22)19-9-4-3-5-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,18,20).
What are the key properties of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 367.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 2138904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).