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

C7H15BrN2O5S — CID 114466862

IUPACmethyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate
SMILESCOCCN(CCBr)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H15BrN2O5S/c1-14-6-5-10(4-3-8)16(12,13)9-7(11)15-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyYLCFRHSJBVDOGX-UHFFFAOYSA-N
MW319.18 g/mol
LogP-0.07
Rot. Bonds7

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

methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate (PubChem CID 114466862) has the molecular formula C7H15BrN2O5S and a molecular weight of 319.18 g/mol. Its IUPAC name is methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate
PubChem CID114466862
Molecular FormulaC7H15BrN2O5S
Molecular Weight319.18 g/mol
Exact Mass317.99
IUPAC Namemethyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate
SMILESCOCCN(CCBr)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H15BrN2O5S/c1-14-6-5-10(4-3-8)16(12,13)9-7(11)15-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyYLCFRHSJBVDOGX-UHFFFAOYSA-N
XLogP-0.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate
CID 114466563
ethyl N-[2-chloroethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466863
methyl N-[2-hydroxyethyl(propyl)sulfamoyl]carbamate
CID 114464146
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 177461393
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
1-[[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]amino]propane
CID 114809784
methyl N-[methoxy(methyl)sulfamoyl]carbamate
CID 114463076

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate (CID 114466862) is methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate is COCCN(CCBr)S(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate?
The InChIKey is YLCFRHSJBVDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2O5S/c1-14-6-5-10(4-3-8)16(12,13)9-7(11)15-2/h3-6H2,1-2H3,(H,9,11).
What are the key properties of methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate?
methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate has a molecular weight of 319.18 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).