methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate

C6H12BrNO4S — CID 106441878

IUPACmethyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)CCBr
InChIInChI=1S/C6H12BrNO4S/c1-8(4-3-7)13(10,11)5-6(9)12-2/h3-5H2,1-2H3
InChIKeyBZRPRFUNEKWJMX-UHFFFAOYSA-N
MW274.14 g/mol
LogP-0.18
Rot. Bonds5

About methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate

methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate (PubChem CID 106441878) has the molecular formula C6H12BrNO4S and a molecular weight of 274.14 g/mol. Its IUPAC name is methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate
PubChem CID106441878
Molecular FormulaC6H12BrNO4S
Molecular Weight274.14 g/mol
Exact Mass272.97
IUPAC Namemethyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)CCBr
InChIInChI=1S/C6H12BrNO4S/c1-8(4-3-7)13(10,11)5-6(9)12-2/h3-5H2,1-2H3
InChIKeyBZRPRFUNEKWJMX-UHFFFAOYSA-N
XLogP-0.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-chloroethyl(methyl)sulfamoyl]acetate
CID 106441931
methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867674
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate
CID 131721881
methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate
CID 18702049
N-(2-bromoethyl)-N-methyl-2-methylsulfonylacetamide
CID 80659141
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate
CID 548371
2-methoxy-2-oxoethanesulfonate
CID 86306875
methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
CID 61456989

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate (CID 106441878) is methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)N(C)CCBr.
What is the InChIKey of methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate?
The InChIKey is BZRPRFUNEKWJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO4S/c1-8(4-3-7)13(10,11)5-6(9)12-2/h3-5H2,1-2H3.
What are the key properties of methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate?
methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate has a molecular weight of 274.14 g/mol, XLogP of -0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromoethyl(methyl)sulfamoyl]acetate is sourced from PubChem (CID 106441878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).