N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide

C13H21N3O2S — CID 43297985

IUPACN-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1)c1cccc(N)c1
InChIInChI=1S/C13H21N3O2S/c1-11(12-6-5-7-13(14)10-12)15-19(17,18)16-8-3-2-4-9-16/h5-7,10-11,15H,2-4,8-9,14H2,1H3
InChIKeySNLWRXDAJVBFFW-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.65
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide

N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide (PubChem CID 43297985) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
PubChem CID43297985
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1)c1cccc(N)c1
InChIInChI=1S/C13H21N3O2S/c1-11(12-6-5-7-13(14)10-12)15-19(17,18)16-8-3-2-4-9-16/h5-7,10-11,15H,2-4,8-9,14H2,1H3
InChIKeySNLWRXDAJVBFFW-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'}

Analyze N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide 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

N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
CID 43297979
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]azepane-1-sulfonamide
CID 18148519
propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
CID 114461545
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
CID 106002812
N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
N-[3-[1-(morpholin-4-ylsulfonylamino)ethyl]phenyl]acetamide
CID 46595994
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
CID 30288270

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide (CID 43297985) is N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCCCC1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is SNLWRXDAJVBFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11(12-6-5-7-13(14)10-12)15-19(17,18)16-8-3-2-4-9-16/h5-7,10-11,15H,2-4,8-9,14H2,1H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide?
N-[1-(3-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-(3-aminophenyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43297985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).