1-bromo-N-(2-methoxyethyl)methanesulfonamide

C4H10BrNO3S — CID 83093001

IUPAC1-bromo-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCNS(=O)(=O)CBr
InChIInChI=1S/C4H10BrNO3S/c1-9-3-2-6-10(7,8)4-5/h6H,2-4H2,1H3
InChIKeyZFBOECWYEYLWBI-UHFFFAOYSA-N
MW232.10 g/mol
LogP-0.10
Rot. Bonds5

About 1-bromo-N-(2-methoxyethyl)methanesulfonamide

1-bromo-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 83093001) has the molecular formula C4H10BrNO3S and a molecular weight of 232.10 g/mol. Its IUPAC name is 1-bromo-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-methoxyethyl)methanesulfonamide
PubChem CID83093001
Molecular FormulaC4H10BrNO3S
Molecular Weight232.10 g/mol
Exact Mass230.96
IUPAC Name1-bromo-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCNS(=O)(=O)CBr
InChIInChI=1S/C4H10BrNO3S/c1-9-3-2-6-10(7,8)4-5/h6H,2-4H2,1H3
InChIKeyZFBOECWYEYLWBI-UHFFFAOYSA-N
XLogP-0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
1-bromo-N-(5-methylsulfanylpentyl)methanesulfonamide
CID 104922278
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
CID 62850818

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-methoxyethyl)methanesulfonamide (CID 83093001) is 1-bromo-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-methoxyethyl)methanesulfonamide is COCCNS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is ZFBOECWYEYLWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO3S/c1-9-3-2-6-10(7,8)4-5/h6H,2-4H2,1H3.
What are the key properties of 1-bromo-N-(2-methoxyethyl)methanesulfonamide?
1-bromo-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 232.10 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 83093001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).