2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide

C14H23N3O2S — CID 106036389

IUPAC2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1CN)c1ccccc1
InChIInChI=1S/C14H23N3O2S/c1-12(13-7-3-2-4-8-13)16-20(18,19)17-10-6-5-9-14(17)11-15/h2-4,7-8,12,14,16H,5-6,9-11,15H2,1H3
InChIKeyCKYZNHFJJFOETH-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.40
Rot. Bonds5

About 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide (PubChem CID 106036389) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
PubChem CID106036389
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1CN)c1ccccc1
InChIInChI=1S/C14H23N3O2S/c1-12(13-7-3-2-4-8-13)16-20(18,19)17-10-6-5-9-14(17)11-15/h2-4,7-8,12,14,16H,5-6,9-11,15H2,1H3
InChIKeyCKYZNHFJJFOETH-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-(1-phenylethyl)piperidine-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

2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106083491
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide (CID 106036389) is 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCCCC1CN)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide?
The InChIKey is CKYZNHFJJFOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12(13-7-3-2-4-8-13)16-20(18,19)17-10-6-5-9-14(17)11-15/h2-4,7-8,12,14,16H,5-6,9-11,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106036389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).