propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate

C7H15BrN2O4S — CID 114466545

IUPACpropan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCBr
InChIInChI=1S/C7H15BrN2O4S/c1-6(2)14-7(11)9-15(12,13)10(3)5-4-8/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyAOBJWPMSKURPCS-UHFFFAOYSA-N
MW303.18 g/mol
LogP0.69
Rot. Bonds5

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

propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate (PubChem CID 114466545) has the molecular formula C7H15BrN2O4S and a molecular weight of 303.18 g/mol. Its IUPAC name is propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
PubChem CID114466545
Molecular FormulaC7H15BrN2O4S
Molecular Weight303.18 g/mol
Exact Mass301.99
IUPAC Namepropan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCBr
InChIInChI=1S/C7H15BrN2O4S/c1-6(2)14-7(11)9-15(12,13)10(3)5-4-8/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyAOBJWPMSKURPCS-UHFFFAOYSA-N
XLogP0.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
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-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
CID 114463424
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
propan-2-yl N-[(4-aminophenyl)-methylsulfamoyl]carbamate
CID 114461530

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate (CID 114466545) is propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(C)CCBr.
What is the InChIKey of propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate?
The InChIKey is AOBJWPMSKURPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2O4S/c1-6(2)14-7(11)9-15(12,13)10(3)5-4-8/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate?
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate has a molecular weight of 303.18 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).