N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide

C8H16BrNO2S — CID 114295215

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCC1CBr
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-6-8-4-2-3-7(8)5-9/h7-8,10H,2-6H2,1H3
InChIKeyRMRHBCSPWBESRR-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.35
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide

N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide (PubChem CID 114295215) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
PubChem CID114295215
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCC1CBr
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-6-8-4-2-3-7(8)5-9/h7-8,10H,2-6H2,1H3
InChIKeyRMRHBCSPWBESRR-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide 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-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058945
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295253
N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107420829
N-(2-cyclopentylethyl)methanesulfonamide
CID 60734564
N-[[2-(aminomethyl)cyclopentyl]methyl]methanesulfonamide
CID 65926148
N-[[2-(bromomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82842294
1-bromo-N-(2-cyclopentylethyl)methanesulfonamide
CID 83083702
1-bromo-N-(2-ethylhexyl)methanesulfonamide
CID 83086057
1-bromo-N-(2,3-dimethylcyclopentyl)methanesulfonamide
CID 83086490
1-bromo-N-(3-ethyl-2-methylcyclopentyl)methanesulfonamide
CID 83086491
1-bromo-N-(1-cyclopentylethyl)methanesulfonamide
CID 83087005
1-bromo-N-(3-cyclopentylpropyl)methanesulfonamide
CID 104099163

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide (CID 114295215) is N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
The InChIKey is RMRHBCSPWBESRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-13(11,12)10-6-8-4-2-3-7(8)5-9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]methanesulfonamide is sourced from PubChem (CID 114295215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).