2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide

C13H21N3O2S — CID 55167629

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide
SMILESCC(N)C1CCCCN1c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-10(14)11-6-4-5-9-16(11)12-7-2-3-8-13(12)19(15,17)18/h2-3,7-8,10-11H,4-6,9,14H2,1H3,(H2,15,17,18)
InChIKeyCTAJLAHSYOLHKA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.04
Rot. Bonds3

About 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide

2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide (PubChem CID 55167629) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide
PubChem CID55167629
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide
SMILESCC(N)C1CCCCN1c1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-10(14)11-6-4-5-9-16(11)12-7-2-3-8-13(12)19(15,17)18/h2-3,7-8,10-11H,4-6,9,14H2,1H3,(H2,15,17,18)
InChIKeyCTAJLAHSYOLHKA-UHFFFAOYSA-N
XLogP1.04
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide 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

(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 61409798
4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
CID 81244792
3-[2-(1-aminoethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 104719974
1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203
1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine
CID 63255659
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-2-yl]ethanamine
CID 55168390
[2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999660
1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine
CID 63256055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide (CID 55167629) is 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide is CC(N)C1CCCCN1c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide?
The InChIKey is CTAJLAHSYOLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(14)11-6-4-5-9-16(11)12-7-2-3-8-13(12)19(15,17)18/h2-3,7-8,10-11H,4-6,9,14H2,1H3,(H2,15,17,18).
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide?
2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 55167629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).