4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H23N3O2S — CID 62989950

IUPAC4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c15-12-13-4-6-14(7-5-13)20(18,19)16-8-3-11-17-9-1-2-10-17/h4-7,16H,1-3,8-12,15H2
InChIKeyJMEVBOBGIDKGQQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.91
Rot. Bonds7

About 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 62989950) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID62989950
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c15-12-13-4-6-14(7-5-13)20(18,19)16-8-3-11-17-9-1-2-10-17/h4-7,16H,1-3,8-12,15H2
InChIKeyJMEVBOBGIDKGQQ-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)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

4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]propanoic acid
CID 45425049
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 62989950) is 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is JMEVBOBGIDKGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c15-12-13-4-6-14(7-5-13)20(18,19)16-8-3-11-17-9-1-2-10-17/h4-7,16H,1-3,8-12,15H2.
What are the key properties of 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 62989950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).