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

C14H23N3O3S — CID 106018354

IUPAC2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H23N3O3S/c15-12-13-6-4-5-10-17(13)21(18,19)16-9-11-20-14-7-2-1-3-8-14/h1-3,7-8,13,16H,4-6,9-12,15H2
InChIKeyZUYTYFJNZHXLKO-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.71
Rot. Bonds7

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

2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide (PubChem CID 106018354) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
PubChem CID106018354
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H23N3O3S/c15-12-13-6-4-5-10-17(13)21(18,19)16-9-11-20-14-7-2-1-3-8-14/h1-3,7-8,13,16H,4-6,9-12,15H2
InChIKeyZUYTYFJNZHXLKO-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018330
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide
CID 106095206
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide (CID 106018354) is 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
The InChIKey is ZUYTYFJNZHXLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-12-13-6-4-5-10-17(13)21(18,19)16-9-11-20-14-7-2-1-3-8-14/h1-3,7-8,13,16H,4-6,9-12,15H2.
What are the key properties of 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106018354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).