4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide

C14H22BrN3O2S — CID 106002812

IUPAC4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCC(CN)CC1)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN3O2S/c1-11(13-3-2-4-14(15)9-13)17-21(19,20)18-7-5-12(10-16)6-8-18/h2-4,9,11-12,17H,5-8,10,16H2,1H3
InChIKeyQMSVTXBLWBLFSH-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.02
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide

4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide (PubChem CID 106002812) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
PubChem CID106002812
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCC(CN)CC1)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN3O2S/c1-11(13-3-2-4-14(15)9-13)17-21(19,20)18-7-5-12(10-16)6-8-18/h2-4,9,11-12,17H,5-8,10,16H2,1H3
InChIKeyQMSVTXBLWBLFSH-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[1-(3-bromophenyl)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

[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218488
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297985
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
1-(benzenesulfonyl)-N-[1-(3-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43872998
N-[(1S)-1-(3-bromophenyl)ethyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 97341579
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide (CID 106002812) is 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCC(CN)CC1)c1cccc(Br)c1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is QMSVTXBLWBLFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-11(13-3-2-4-14(15)9-13)17-21(19,20)18-7-5-12(10-16)6-8-18/h2-4,9,11-12,17H,5-8,10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106002812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).