methyl N-(4-bromobutylsulfamoyl)carbamate

C6H13BrN2O4S — CID 106846716

IUPACmethyl N-(4-bromobutylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCCBr
InChIInChI=1S/C6H13BrN2O4S/c1-13-6(10)9-14(11,12)8-5-3-2-4-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeySKUOADGJEBPVBG-UHFFFAOYSA-N
MW289.15 g/mol
LogP0.35
Rot. Bonds6

About methyl N-(4-bromobutylsulfamoyl)carbamate

methyl N-(4-bromobutylsulfamoyl)carbamate (PubChem CID 106846716) has the molecular formula C6H13BrN2O4S and a molecular weight of 289.15 g/mol. Its IUPAC name is methyl N-(4-bromobutylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-bromobutylsulfamoyl)carbamate
PubChem CID106846716
Molecular FormulaC6H13BrN2O4S
Molecular Weight289.15 g/mol
Exact Mass287.98
IUPAC Namemethyl N-(4-bromobutylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCCBr
InChIInChI=1S/C6H13BrN2O4S/c1-13-6(10)9-14(11,12)8-5-3-2-4-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeySKUOADGJEBPVBG-UHFFFAOYSA-N
XLogP0.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl N-(4-bromobutylsulfamoyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
CID 106306653
methyl N-(2-azidoethylsulfamoyl)carbamate
CID 114466121
ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
N-(5-bromopentyl)methanesulfonamide
CID 107323102
methyl N-[2-(4-hydroxyphenyl)ethylsulfamoyl]carbamate
CID 114463964
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-bromobutylsulfamoyl)carbamate?
The IUPAC name of methyl N-(4-bromobutylsulfamoyl)carbamate (CID 106846716) is methyl N-(4-bromobutylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(4-bromobutylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(4-bromobutylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCCCCBr.
What is the InChIKey of methyl N-(4-bromobutylsulfamoyl)carbamate?
The InChIKey is SKUOADGJEBPVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2O4S/c1-13-6(10)9-14(11,12)8-5-3-2-4-7/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of methyl N-(4-bromobutylsulfamoyl)carbamate?
methyl N-(4-bromobutylsulfamoyl)carbamate has a molecular weight of 289.15 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-bromobutylsulfamoyl)carbamate is sourced from PubChem (CID 106846716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).