N-(2-oxopropyl)sulfamoyl iodide

C3H6INO3S — CID 167102136

IUPACN-(2-oxopropyl)sulfamoyl iodide
SMILESCC(=O)CNS(=O)(=O)I
InChIInChI=1S/C3H6INO3S/c1-3(6)2-5-9(4,7)8/h5H,2H2,1H3
InChIKeyJBUICHHWZZEVGK-UHFFFAOYSA-N
MW263.06 g/mol
LogP-0.16
Rot. Bonds3

About N-(2-oxopropyl)sulfamoyl iodide

N-(2-oxopropyl)sulfamoyl iodide (PubChem CID 167102136) has the molecular formula C3H6INO3S and a molecular weight of 263.06 g/mol. Its IUPAC name is N-(2-oxopropyl)sulfamoyl iodide.

Molecular Properties

Compound NameN-(2-oxopropyl)sulfamoyl iodide
PubChem CID167102136
Molecular FormulaC3H6INO3S
Molecular Weight263.06 g/mol
Exact Mass262.91
IUPAC NameN-(2-oxopropyl)sulfamoyl iodide
SMILESCC(=O)CNS(=O)(=O)I
InChIInChI=1S/C3H6INO3S/c1-3(6)2-5-9(4,7)8/h5H,2H2,1H3
InChIKeyJBUICHHWZZEVGK-UHFFFAOYSA-N
XLogP-0.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Sulfanylamino)propan-2-one
CID 13149227
1-(Methylsulfamoylamino)propan-2-one
CID 58997407
2-Oxo-1-(sulfamoylamino)propane
CID 114959217
2-Oxo-1-(sulfinatoamino)propane
CID 139668002
CID 163589522
CID 163589522
Rutherfordium;1-(sulfinatoamino)propan-2-one
CID 173493730
2-Oxo-1-(sulfinoamino)propane
CID 139668003

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)sulfamoyl iodide?
The IUPAC name of N-(2-oxopropyl)sulfamoyl iodide (CID 167102136) is N-(2-oxopropyl)sulfamoyl iodide.
What is the SMILES notation for N-(2-oxopropyl)sulfamoyl iodide?
The canonical SMILES for N-(2-oxopropyl)sulfamoyl iodide is CC(=O)CNS(=O)(=O)I.
What is the InChIKey of N-(2-oxopropyl)sulfamoyl iodide?
The InChIKey is JBUICHHWZZEVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6INO3S/c1-3(6)2-5-9(4,7)8/h5H,2H2,1H3.
What are the key properties of N-(2-oxopropyl)sulfamoyl iodide?
N-(2-oxopropyl)sulfamoyl iodide has a molecular weight of 263.06 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)sulfamoyl iodide is sourced from PubChem (CID 167102136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).