propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate

C10H21BrN2O4S — CID 114466588

IUPACpropan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCBr)C(C)C
InChIInChI=1S/C10H21BrN2O4S/c1-8(2)13(7-5-6-11)18(15,16)12-10(14)17-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)
InChIKeyHXPNPUQQTMSGHJ-UHFFFAOYSA-N
MW345.26 g/mol
LogP1.86
Rot. Bonds7

About propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate

propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate (PubChem CID 114466588) has the molecular formula C10H21BrN2O4S and a molecular weight of 345.26 g/mol. Its IUPAC name is propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
PubChem CID114466588
Molecular FormulaC10H21BrN2O4S
Molecular Weight345.26 g/mol
Exact Mass344.04
IUPAC Namepropan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCBr)C(C)C
InChIInChI=1S/C10H21BrN2O4S/c1-8(2)13(7-5-6-11)18(15,16)12-10(14)17-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)
InChIKeyHXPNPUQQTMSGHJ-UHFFFAOYSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 51.86
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

3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
CID 114467537
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
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
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate
CID 114461157

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate (CID 114466588) is propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(CCCBr)C(C)C.
What is the InChIKey of propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate?
The InChIKey is HXPNPUQQTMSGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O4S/c1-8(2)13(7-5-6-11)18(15,16)12-10(14)17-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14).
What are the key properties of propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate?
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate has a molecular weight of 345.26 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 114466588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).