N-(2-bromocyclopentyl)methanesulfonamide

C6H12BrNO2S — CID 80661743

IUPACN-(2-bromocyclopentyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C6H12BrNO2S/c1-11(9,10)8-6-4-2-3-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyWITFPLUGMXDOMR-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.85
Rot. Bonds2

About N-(2-bromocyclopentyl)methanesulfonamide

N-(2-bromocyclopentyl)methanesulfonamide (PubChem CID 80661743) has the molecular formula C6H12BrNO2S and a molecular weight of 242.14 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)methanesulfonamide
PubChem CID80661743
Molecular FormulaC6H12BrNO2S
Molecular Weight242.14 g/mol
Exact Mass240.98
IUPAC NameN-(2-bromocyclopentyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C6H12BrNO2S/c1-11(9,10)8-6-4-2-3-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyWITFPLUGMXDOMR-UHFFFAOYSA-N
XLogP0.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)methanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)methanesulfonamide (CID 80661743) is N-(2-bromocyclopentyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)methanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)methanesulfonamide is CS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)methanesulfonamide?
The InChIKey is WITFPLUGMXDOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2S/c1-11(9,10)8-6-4-2-3-5(6)7/h5-6,8H,2-4H2,1H3.
What are the key properties of N-(2-bromocyclopentyl)methanesulfonamide?
N-(2-bromocyclopentyl)methanesulfonamide has a molecular weight of 242.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)methanesulfonamide is sourced from PubChem (CID 80661743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).