3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide

C14H22FN3O2S — CID 106059384

IUPAC3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C14H22FN3O2S/c15-14-6-2-1-5-13(14)7-8-17-21(19,20)18-9-3-4-12(10-16)11-18/h1-2,5-6,12,17H,3-4,7-11,16H2
InChIKeyCSBNVSQDHLXZEB-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.87
Rot. Bonds6

About 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide

3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide (PubChem CID 106059384) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
PubChem CID106059384
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C14H22FN3O2S/c15-14-6-2-1-5-13(14)7-8-17-21(19,20)18-9-3-4-12(10-16)11-18/h1-2,5-6,12,17H,3-4,7-11,16H2
InChIKeyCSBNVSQDHLXZEB-UHFFFAOYSA-N
XLogP0.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
2-(2-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79613090
N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
CID 28775779
(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26393154
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
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-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106081643
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide (CID 106059384) is 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NCCc2ccccc2F)C1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is CSBNVSQDHLXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c15-14-6-2-1-5-13(14)7-8-17-21(19,20)18-9-3-4-12(10-16)11-18/h1-2,5-6,12,17H,3-4,7-11,16H2.
What are the key properties of 3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide?
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 0.87, 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-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106059384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).