propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate

C11H21BrN2O4S — CID 114179792

IUPACpropan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H21BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-6-4-3-5-9(10)7-12/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyLSYOHXHQQXCTKS-UHFFFAOYSA-N
MW357.27 g/mol
LogP1.91
Rot. Bonds5

About propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate

propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate (PubChem CID 114179792) has the molecular formula C11H21BrN2O4S and a molecular weight of 357.27 g/mol. Its IUPAC name is propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
PubChem CID114179792
Molecular FormulaC11H21BrN2O4S
Molecular Weight357.27 g/mol
Exact Mass356.04
IUPAC Namepropan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H21BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-6-4-3-5-9(10)7-12/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyLSYOHXHQQXCTKS-UHFFFAOYSA-N
XLogP1.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 51.91
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

propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate
CID 114464755
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114464267
1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 106367701
propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate
CID 114464683
N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
CID 106366596
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827
ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114632202
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate (CID 114179792) is propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC1CCCCC1CBr.
What is the InChIKey of propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate?
The InChIKey is LSYOHXHQQXCTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O4S/c1-8(2)18-11(15)14-19(16,17)13-10-6-4-3-5-9(10)7-12/h8-10,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate?
propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate has a molecular weight of 357.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate is sourced from PubChem (CID 114179792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).