propyl N-iodosulfonylcarbamate

C4H8INO4S — CID 89299512

IUPACpropyl N-iodosulfonylcarbamate
SMILESCCCOC(=O)NS(=O)(=O)I
InChIInChI=1S/C4H8INO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7)
InChIKeyHMPAZBZQRKURLS-UHFFFAOYSA-N
MW293.08 g/mol
LogP0.80
Rot. Bonds3

About propyl N-iodosulfonylcarbamate

propyl N-iodosulfonylcarbamate (PubChem CID 89299512) has the molecular formula C4H8INO4S and a molecular weight of 293.08 g/mol. Its IUPAC name is propyl N-iodosulfonylcarbamate.

Molecular Properties

Compound Namepropyl N-iodosulfonylcarbamate
PubChem CID89299512
Molecular FormulaC4H8INO4S
Molecular Weight293.08 g/mol
Exact Mass292.92
IUPAC Namepropyl N-iodosulfonylcarbamate
SMILESCCCOC(=O)NS(=O)(=O)I
InChIInChI=1S/C4H8INO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7)
InChIKeyHMPAZBZQRKURLS-UHFFFAOYSA-N
XLogP0.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
butane;propyl N-hydroxycarbamate
CID 174767978
ethane;propyl N-methylcarbamate
CID 142560404
butyl N-chlorosulfonylcarbamate
CID 55279204
propyl N-ethenylcarbamate;silane
CID 174610345
propyl N-(tert-butylamino)carbamate
CID 150814794
propyl N-(dihydroxymethyl)carbamate
CID 174469306
butyl N-[methyl-bis(sulfanyl)-λ4-sulfanyl]sulfonylcarbamate
CID 166897347
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
propyl N-(methoxymethyl)carbamate
CID 142704391
butyl N-(phenylsulfamoyl)carbamate
CID 131732175
propyl N-(3-iodoprop-1-ynyl)carbamate
CID 166064539

Frequently Asked Questions

What is the IUPAC name of propyl N-iodosulfonylcarbamate?
The IUPAC name of propyl N-iodosulfonylcarbamate (CID 89299512) is propyl N-iodosulfonylcarbamate.
What is the SMILES notation for propyl N-iodosulfonylcarbamate?
The canonical SMILES for propyl N-iodosulfonylcarbamate is CCCOC(=O)NS(=O)(=O)I.
What is the InChIKey of propyl N-iodosulfonylcarbamate?
The InChIKey is HMPAZBZQRKURLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7).
What are the key properties of propyl N-iodosulfonylcarbamate?
propyl N-iodosulfonylcarbamate has a molecular weight of 293.08 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-iodosulfonylcarbamate is sourced from PubChem (CID 89299512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).