4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide

C14H23N3O3S — CID 106018330

IUPAC4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C14H23N3O3S/c15-12-13-6-9-17(10-7-13)21(18,19)16-8-11-20-14-4-2-1-3-5-14/h1-5,13,16H,6-12,15H2
InChIKeyNVVLEHVAHGCTSC-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.57
Rot. Bonds7

About 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide (PubChem CID 106018330) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
PubChem CID106018330
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C14H23N3O3S/c15-12-13-6-9-17(10-7-13)21(18,19)16-8-11-20-14-4-2-1-3-5-14/h1-5,13,16H,6-12,15H2
InChIKeyNVVLEHVAHGCTSC-UHFFFAOYSA-N
XLogP0.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.57
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-(2-phenoxyethyl)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-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-phenoxyethanamine
CID 79612346

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide (CID 106018330) is 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)NCCOc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
The InChIKey is NVVLEHVAHGCTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-12-13-6-9-17(10-7-13)21(18,19)16-8-11-20-14-4-2-1-3-5-14/h1-5,13,16H,6-12,15H2.
What are the key properties of 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106018330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).