methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate

C6H13BrN2O4S — CID 114466563

IUPACmethyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate
SMILESCCN(CCBr)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C6H13BrN2O4S/c1-3-9(5-4-7)14(11,12)8-6(10)13-2/h3-5H2,1-2H3,(H,8,10)
InChIKeyLBHHAFNPWPMNGR-UHFFFAOYSA-N
MW289.15 g/mol
LogP0.30
Rot. Bonds5

About methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate

methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate (PubChem CID 114466563) has the molecular formula C6H13BrN2O4S and a molecular weight of 289.15 g/mol. Its IUPAC name is methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate
PubChem CID114466563
Molecular FormulaC6H13BrN2O4S
Molecular Weight289.15 g/mol
Exact Mass287.98
IUPAC Namemethyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate
SMILESCCN(CCBr)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C6H13BrN2O4S/c1-3-9(5-4-7)14(11,12)8-6(10)13-2/h3-5H2,1-2H3,(H,8,10)
InChIKeyLBHHAFNPWPMNGR-UHFFFAOYSA-N
XLogP0.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466862
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
methyl N-[2-hydroxyethyl(propyl)sulfamoyl]carbamate
CID 114464146
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
CID 114464365
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate
CID 114461560
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
methyl N-[methoxy(methyl)sulfamoyl]carbamate
CID 114463076
methyl 3-[ethyl(methylsulfamoyl)amino]propanoate
CID 114811511
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate (CID 114466563) is methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate is CCN(CCBr)S(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate?
The InChIKey is LBHHAFNPWPMNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2O4S/c1-3-9(5-4-7)14(11,12)8-6(10)13-2/h3-5H2,1-2H3,(H,8,10).
What are the key properties of methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate?
methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate has a molecular weight of 289.15 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).