N-(2-bromoethyl)-N-methylcyclopropanesulfonamide

C6H12BrNO2S — CID 80669337

IUPACN-(2-bromoethyl)-N-methylcyclopropanesulfonamide
SMILESCN(CCBr)S(=O)(=O)C1CC1
InChIInChI=1S/C6H12BrNO2S/c1-8(5-4-7)11(9,10)6-2-3-6/h6H,2-5H2,1H3
InChIKeyWDKFFFRPJJZMBL-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.81
Rot. Bonds4

About N-(2-bromoethyl)-N-methylcyclopropanesulfonamide

N-(2-bromoethyl)-N-methylcyclopropanesulfonamide (PubChem CID 80669337) has the molecular formula C6H12BrNO2S and a molecular weight of 242.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methylcyclopropanesulfonamide
PubChem CID80669337
Molecular FormulaC6H12BrNO2S
Molecular Weight242.14 g/mol
Exact Mass240.98
IUPAC NameN-(2-bromoethyl)-N-methylcyclopropanesulfonamide
SMILESCN(CCBr)S(=O)(=O)C1CC1
InChIInChI=1S/C6H12BrNO2S/c1-8(5-4-7)11(9,10)6-2-3-6/h6H,2-5H2,1H3
InChIKeyWDKFFFRPJJZMBL-UHFFFAOYSA-N
XLogP0.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.81
H-Bond Donors ≤ 50
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-bromoethyl)-N-methylcyclopropanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-methylcyclopropanesulfonamide (CID 80669337) is N-(2-bromoethyl)-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-methylcyclopropanesulfonamide is CN(CCBr)S(=O)(=O)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-methylcyclopropanesulfonamide?
The InChIKey is WDKFFFRPJJZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2S/c1-8(5-4-7)11(9,10)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-methylcyclopropanesulfonamide?
N-(2-bromoethyl)-N-methylcyclopropanesulfonamide has a molecular weight of 242.14 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 80669337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).