propan-2-yl N-(benzylsulfamoyl)carbamate

C11H16N2O4S — CID 117060358

IUPACpropan-2-yl N-(benzylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-9(2)17-11(14)13-18(15,16)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,13,14)
InChIKeyDWXGNWWXUYFLES-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.16
Rot. Bonds5

About propan-2-yl N-(benzylsulfamoyl)carbamate

propan-2-yl N-(benzylsulfamoyl)carbamate (PubChem CID 117060358) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is propan-2-yl N-(benzylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(benzylsulfamoyl)carbamate
PubChem CID117060358
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namepropan-2-yl N-(benzylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-9(2)17-11(14)13-18(15,16)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,13,14)
InChIKeyDWXGNWWXUYFLES-UHFFFAOYSA-N
XLogP1.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(benzylsulfamoylcarbamoyloxy)propanoate
CID 10758791
propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
CID 114463811
propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
CID 114464725
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863552
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
CID 114462094
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(benzylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(benzylsulfamoyl)carbamate (CID 117060358) is propan-2-yl N-(benzylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(benzylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(benzylsulfamoyl)carbamate is CC(C)OC(=O)NS(=O)(=O)NCc1ccccc1.
What is the InChIKey of propan-2-yl N-(benzylsulfamoyl)carbamate?
The InChIKey is DWXGNWWXUYFLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-9(2)17-11(14)13-18(15,16)12-8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,13,14).
What are the key properties of propan-2-yl N-(benzylsulfamoyl)carbamate?
propan-2-yl N-(benzylsulfamoyl)carbamate has a molecular weight of 272.33 g/mol, XLogP of 1.16, 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-(benzylsulfamoyl)carbamate is sourced from PubChem (CID 117060358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).