[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine

C12H16BrNO2S — CID 90313478

IUPAC[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine
SMILESNCC1(S(=O)(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-10-5-1-2-6-11(10)17(15,16)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKeyOFEAUSDXHRCZNN-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.49
Rot. Bonds3

About [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine

[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine (PubChem CID 90313478) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine
PubChem CID90313478
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine
SMILESNCC1(S(=O)(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-10-5-1-2-6-11(10)17(15,16)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKeyOFEAUSDXHRCZNN-UHFFFAOYSA-N
XLogP2.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine 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-(2-bromophenyl)sulfonylcyclopentane-1-carboxamide
CID 90313711
2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
CID 115047799
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide
CID 115271965
1-(2-bromophenyl)sulfonylcyclobutane-1-carboxylic acid
CID 16777928
2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol
CID 115044697
2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
CID 65030927
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
5-(2-bromophenyl)sulfonylspiro[2.3]hexane-5-carbonitrile
CID 65008439
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
CID 60660791

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine?
The IUPAC name of [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine (CID 90313478) is [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine.
What is the SMILES notation for [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine?
The canonical SMILES for [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine is NCC1(S(=O)(=O)c2ccccc2Br)CCCC1.
What is the InChIKey of [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine?
The InChIKey is OFEAUSDXHRCZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-10-5-1-2-6-11(10)17(15,16)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2.
What are the key properties of [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine?
[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine has a molecular weight of 318.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)sulfonylcyclopentyl]methanamine is sourced from PubChem (CID 90313478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).