4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

C16H23N3O2S — CID 8844122

IUPAC4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H23N3O2S/c1-14-7-11-19(12-8-14)10-2-9-18-22(20,21)16-5-3-15(13-17)4-6-16/h3-6,14,18H,2,7-12H2,1H3
InChIKeyRETBOLKISRFWSE-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.96
Rot. Bonds6

About 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 8844122) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID8844122
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H23N3O2S/c1-14-7-11-19(12-8-14)10-2-9-18-22(20,21)16-5-3-15(13-17)4-6-16/h3-6,14,18H,2,7-12H2,1H3
InChIKeyRETBOLKISRFWSE-UHFFFAOYSA-N
XLogP1.96
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide 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

N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 17461365
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045
1-[(4-cyanophenyl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387057

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 8844122) is 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is CC1CCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is RETBOLKISRFWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-14-7-11-19(12-8-14)10-2-9-18-22(20,21)16-5-3-15(13-17)4-6-16/h3-6,14,18H,2,7-12H2,1H3.
What are the key properties of 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 8844122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).