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

C14H23N3O2S — CID 106060180

IUPAC3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCc2ccccc2)C1
InChIInChI=1S/C14H23N3O2S/c15-11-14-7-4-10-17(12-14)20(18,19)16-9-8-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12,15H2
InChIKeyXJZSBISDLQGIIX-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.73
Rot. Bonds6

About 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide

3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide (PubChem CID 106060180) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
PubChem CID106060180
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCc2ccccc2)C1
InChIInChI=1S/C14H23N3O2S/c15-11-14-7-4-10-17(12-14)20(18,19)16-9-8-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12,15H2
InChIKeyXJZSBISDLQGIIX-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106081643
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide (CID 106060180) is 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NCCc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide?
The InChIKey is XJZSBISDLQGIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c15-11-14-7-4-10-17(12-14)20(18,19)16-9-8-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12,15H2.
What are the key properties of 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106060180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).