N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide

C15H25N3O2S — CID 107366720

IUPACN-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
SMILESNCCCN(Cc1ccccc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H25N3O2S/c16-10-7-13-18(14-15-8-3-1-4-9-15)21(19,20)17-11-5-2-6-12-17/h1,3-4,8-9H,2,5-7,10-14,16H2
InChIKeyXINOTSGZFDDRHA-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.57
Rot. Bonds7

About N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide

N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide (PubChem CID 107366720) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
PubChem CID107366720
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
SMILESNCCCN(Cc1ccccc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H25N3O2S/c16-10-7-13-18(14-15-8-3-1-4-9-15)21(19,20)17-11-5-2-6-12-17/h1,3-4,8-9H,2,5-7,10-14,16H2
InChIKeyXINOTSGZFDDRHA-UHFFFAOYSA-N
XLogP1.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide 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-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
N-(3-aminopropyl)-N-benzylcyclopentanesulfonamide
CID 107366552
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
CID 107366466
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
CID 43318687
N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120664151
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide (CID 107366720) is N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide is NCCCN(Cc1ccccc1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide?
The InChIKey is XINOTSGZFDDRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c16-10-7-13-18(14-15-8-3-1-4-9-15)21(19,20)17-11-5-2-6-12-17/h1,3-4,8-9H,2,5-7,10-14,16H2.
What are the key properties of N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide is sourced from PubChem (CID 107366720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).