4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide

C13H21N3O3S — CID 106075236

IUPAC4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide
SMILESNCCOc1ccc(S(=O)(=O)NN2CCCCC2)cc1
InChIInChI=1S/C13H21N3O3S/c14-8-11-19-12-4-6-13(7-5-12)20(17,18)15-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11,14H2
InChIKeyLPSZKWDZZVWHQE-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.70
Rot. Bonds6

About 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide

4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 106075236) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide
PubChem CID106075236
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide
SMILESNCCOc1ccc(S(=O)(=O)NN2CCCCC2)cc1
InChIInChI=1S/C13H21N3O3S/c14-8-11-19-12-4-6-13(7-5-12)20(17,18)15-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11,14H2
InChIKeyLPSZKWDZZVWHQE-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide
CID 106024417
N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
CID 43369622
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)phenoxy]ethanamine
CID 115562926
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
CID 62349233
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
4-(2-aminoethoxy)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066211
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
6-(methylamino)-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83023083
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide (CID 106075236) is 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide is NCCOc1ccc(S(=O)(=O)NN2CCCCC2)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is LPSZKWDZZVWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-8-11-19-12-4-6-13(7-5-12)20(17,18)15-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11,14H2.
What are the key properties of 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide?
4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 106075236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).