4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide

C13H21N3O3S — CID 61295573

IUPAC4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
SMILESNC1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H21N3O3S/c14-11-2-1-7-16(10-11)8-9-19-12-3-5-13(6-4-12)20(15,17)18/h3-6,11H,1-2,7-10,14H2,(H2,15,17,18)
InChIKeyMLAZUEZBQXLTCA-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.14
Rot. Bonds5

About 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide

4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 61295573) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
PubChem CID61295573
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
SMILESNC1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H21N3O3S/c14-11-2-1-7-16(10-11)8-9-19-12-3-5-13(6-4-12)20(15,17)18/h3-6,11H,1-2,7-10,14H2,(H2,15,17,18)
InChIKeyMLAZUEZBQXLTCA-UHFFFAOYSA-N
XLogP0.14
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 63264028
4-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzenesulfonamide;hydrochloride
CID 119927332
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
CID 61403557
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide (CID 61295573) is 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide is NC1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is MLAZUEZBQXLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-11-2-1-7-16(10-11)8-9-19-12-3-5-13(6-4-12)20(15,17)18/h3-6,11H,1-2,7-10,14H2,(H2,15,17,18).
What are the key properties of 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide?
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 61295573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).