ethyl N-(6-bromohexylsulfamoyl)carbamate

C9H19BrN2O4S — CID 107848893

IUPACethyl N-(6-bromohexylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCCCCBr
InChIInChI=1S/C9H19BrN2O4S/c1-2-16-9(13)12-17(14,15)11-8-6-4-3-5-7-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyLELXNZJYTVBAJP-UHFFFAOYSA-N
MW331.23 g/mol
LogP1.52
Rot. Bonds9

About ethyl N-(6-bromohexylsulfamoyl)carbamate

ethyl N-(6-bromohexylsulfamoyl)carbamate (PubChem CID 107848893) has the molecular formula C9H19BrN2O4S and a molecular weight of 331.23 g/mol. Its IUPAC name is ethyl N-(6-bromohexylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-bromohexylsulfamoyl)carbamate
PubChem CID107848893
Molecular FormulaC9H19BrN2O4S
Molecular Weight331.23 g/mol
Exact Mass330.02
IUPAC Nameethyl N-(6-bromohexylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCCCCBr
InChIInChI=1S/C9H19BrN2O4S/c1-2-16-9(13)12-17(14,15)11-8-6-4-3-5-7-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyLELXNZJYTVBAJP-UHFFFAOYSA-N
XLogP1.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 51.52
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'}

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Related Compounds

ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-(6-bromohexyl)carbamate
CID 87279639
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
methyl (2S)-2-(ethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]hexanoate
CID 59028983

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-bromohexylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(6-bromohexylsulfamoyl)carbamate (CID 107848893) is ethyl N-(6-bromohexylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(6-bromohexylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(6-bromohexylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NCCCCCCBr.
What is the InChIKey of ethyl N-(6-bromohexylsulfamoyl)carbamate?
The InChIKey is LELXNZJYTVBAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2O4S/c1-2-16-9(13)12-17(14,15)11-8-6-4-3-5-7-10/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of ethyl N-(6-bromohexylsulfamoyl)carbamate?
ethyl N-(6-bromohexylsulfamoyl)carbamate has a molecular weight of 331.23 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-bromohexylsulfamoyl)carbamate is sourced from PubChem (CID 107848893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).