2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide

C13H21N3O3S — CID 83012594

IUPAC2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NN1CCCCC1
InChIInChI=1S/C13H21N3O3S/c14-12-6-2-3-7-13(12)19-10-11-20(17,18)15-16-8-4-1-5-9-16/h2-3,6-7,15H,1,4-5,8-11,14H2
InChIKeyRYYNWWDJYTZIJL-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.97
Rot. Bonds6

About 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide

2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide (PubChem CID 83012594) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide
PubChem CID83012594
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NN1CCCCC1
InChIInChI=1S/C13H21N3O3S/c14-12-6-2-3-7-13(12)19-10-11-20(17,18)15-16-8-4-1-5-9-16/h2-3,6-7,15H,1,4-5,8-11,14H2
InChIKeyRYYNWWDJYTZIJL-UHFFFAOYSA-N
XLogP0.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039767
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethoxy]aniline
CID 104966974
2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide
CID 80725543
2-(2-aminophenoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 65482643
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
(3R)-1-[2-(2-aminophenoxy)ethylsulfonyl]pyrrolidin-3-ol
CID 107212043
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 106894709
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
4-(2-aminophenoxy)butane-1-sulfonic acid
CID 18954137

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide (CID 83012594) is 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide is Nc1ccccc1OCCS(=O)(=O)NN1CCCCC1.
What is the InChIKey of 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide?
The InChIKey is RYYNWWDJYTZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-12-6-2-3-7-13(12)19-10-11-20(17,18)15-16-8-4-1-5-9-16/h2-3,6-7,15H,1,4-5,8-11,14H2.
What are the key properties of 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide?
2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide is sourced from PubChem (CID 83012594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).