ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate

C6H13BrN2O4S — CID 114466677

IUPACethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)CBr
InChIInChI=1S/C6H13BrN2O4S/c1-3-13-6(10)9-14(11,12)8-5(2)4-7/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyVRKDCRIQAGRUQK-UHFFFAOYSA-N
MW289.15 g/mol
LogP0.35
Rot. Bonds5

About ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate

ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate (PubChem CID 114466677) has the molecular formula C6H13BrN2O4S and a molecular weight of 289.15 g/mol. Its IUPAC name is ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
PubChem CID114466677
Molecular FormulaC6H13BrN2O4S
Molecular Weight289.15 g/mol
Exact Mass287.98
IUPAC Nameethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)CBr
InChIInChI=1S/C6H13BrN2O4S/c1-3-13-6(10)9-14(11,12)8-5(2)4-7/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyVRKDCRIQAGRUQK-UHFFFAOYSA-N
XLogP0.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
CID 114465372
5-(ethoxycarbonylsulfamoylamino)hexanoic acid
CID 114463014
ethyl N-[(2-bromo-1-phenylethyl)sulfamoyl]carbamate
CID 114466749
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
ethyl N-[(1-chloro-4-methylpentan-3-yl)sulfamoyl]carbamate
CID 106356437
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
CID 114461389
ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
CID 114461541
ethoxycarbonylsulfamoyl(triethyl)azanium
CID 4666391
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate (CID 114466677) is ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NC(C)CBr.
What is the InChIKey of ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate?
The InChIKey is VRKDCRIQAGRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2O4S/c1-3-13-6(10)9-14(11,12)8-5(2)4-7/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate?
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate has a molecular weight of 289.15 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 114466677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).