N-(3-bromo-2-methylpropyl)ethanesulfonamide

C6H14BrNO2S — CID 114298221

IUPACN-(3-bromo-2-methylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)CBr
InChIInChI=1S/C6H14BrNO2S/c1-3-11(9,10)8-5-6(2)4-7/h6,8H,3-5H2,1-2H3
InChIKeyXRJSRJCXTHXZAO-UHFFFAOYSA-N
MW244.15 g/mol
LogP0.96
Rot. Bonds5

About N-(3-bromo-2-methylpropyl)ethanesulfonamide

N-(3-bromo-2-methylpropyl)ethanesulfonamide (PubChem CID 114298221) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)ethanesulfonamide
PubChem CID114298221
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC NameN-(3-bromo-2-methylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)CBr
InChIInChI=1S/C6H14BrNO2S/c1-3-11(9,10)8-5-6(2)4-7/h6,8H,3-5H2,1-2H3
InChIKeyXRJSRJCXTHXZAO-UHFFFAOYSA-N
XLogP0.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutyl)ethanesulfonamide
CID 64584156
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088
N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
CID 114298130
2-chloro-N-(2-methylbutyl)ethanesulfonamide
CID 107651892
3-amino-N-(2-methylbutyl)propane-1-sulfonamide
CID 62694759
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76952623
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
N-(2-methylbutyl)sulfamoyl chloride
CID 114958197

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)ethanesulfonamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)ethanesulfonamide (CID 114298221) is N-(3-bromo-2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)ethanesulfonamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)ethanesulfonamide is CCS(=O)(=O)NCC(C)CBr.
What is the InChIKey of N-(3-bromo-2-methylpropyl)ethanesulfonamide?
The InChIKey is XRJSRJCXTHXZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-3-11(9,10)8-5-6(2)4-7/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(3-bromo-2-methylpropyl)ethanesulfonamide?
N-(3-bromo-2-methylpropyl)ethanesulfonamide has a molecular weight of 244.15 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 114298221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).