3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide

C17H27N3O3S — CID 43020134

IUPAC3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H27N3O3S/c1-19(2)24(22,23)16-9-6-8-15(14-16)17(21)18-10-7-13-20-11-4-3-5-12-20/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,18,21)
InChIKeyNKCFKOMLYJBEKU-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.54
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide

3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 43020134) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID43020134
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H27N3O3S/c1-19(2)24(22,23)16-9-6-8-15(14-16)17(21)18-10-7-13-20-11-4-3-5-12-20/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,18,21)
InChIKeyNKCFKOMLYJBEKU-UHFFFAOYSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
CID 11702224
3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55621722
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide (CID 43020134) is 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is NKCFKOMLYJBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(2)24(22,23)16-9-6-8-15(14-16)17(21)18-10-7-13-20-11-4-3-5-12-20/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,18,21).
What are the key properties of 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide?
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 43020134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).