N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide

C13H21N3O2S — CID 43297932

IUPACN-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O2S/c1-11(12-5-7-13(14)8-6-12)15-19(17,18)16-9-3-2-4-10-16/h5-8,11,15H,2-4,9-10,14H2,1H3
InChIKeyUNSYQDOOHYXZJN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.65
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide

N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide (PubChem CID 43297932) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
PubChem CID43297932
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O2S/c1-11(12-5-7-13(14)8-6-12)15-19(17,18)16-9-3-2-4-10-16/h5-8,11,15H,2-4,9-10,14H2,1H3
InChIKeyUNSYQDOOHYXZJN-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide (CID 43297932) is N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is UNSYQDOOHYXZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11(12-5-7-13(14)8-6-12)15-19(17,18)16-9-3-2-4-10-16/h5-8,11,15H,2-4,9-10,14H2,1H3.
What are the key properties of N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide?
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43297932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).