N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide

C15H22N2O2S — CID 47017423

IUPACN-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
SMILESC=C(C)CN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2S/c1-13(2)12-17-10-8-14(9-11-17)16-20(18,19)15-6-4-3-5-7-15/h3-7,14,16H,1,8-12H2,2H3
InChIKeyJHRZISQESHFDEB-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.01
Rot. Bonds5

About N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide

N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 47017423) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
PubChem CID47017423
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
SMILESC=C(C)CN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2S/c1-13(2)12-17-10-8-14(9-11-17)16-20(18,19)15-6-4-3-5-7-15/h3-7,14,16H,1,8-12H2,2H3
InChIKeyJHRZISQESHFDEB-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-methylprop-2-enyl)piperidin-4-yl]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

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
CID 18137011
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid
CID 166380691
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34267887

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide (CID 47017423) is N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide is C=C(C)CN1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is JHRZISQESHFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13(2)12-17-10-8-14(9-11-17)16-20(18,19)15-6-4-3-5-7-15/h3-7,14,16H,1,8-12H2,2H3.
What are the key properties of N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 47017423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).