cyclopropanesulfonyl iodide

C3H5IO2S — CID 22935899

IUPACcyclopropanesulfonyl iodide
SMILESO=S(=O)(I)C1CC1
InChIInChI=1S/C3H5IO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2
InChIKeyNHKOAXBTALTALP-UHFFFAOYSA-N
MW232.04 g/mol
LogP0.91
Rot. Bonds1

About cyclopropanesulfonyl iodide

cyclopropanesulfonyl iodide (PubChem CID 22935899) has the molecular formula C3H5IO2S and a molecular weight of 232.04 g/mol. Its IUPAC name is cyclopropanesulfonyl iodide.

Molecular Properties

Compound Namecyclopropanesulfonyl iodide
PubChem CID22935899
Molecular FormulaC3H5IO2S
Molecular Weight232.04 g/mol
Exact Mass231.91
IUPAC Namecyclopropanesulfonyl iodide
SMILESO=S(=O)(I)C1CC1
InChIInChI=1S/C3H5IO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2
InChIKeyNHKOAXBTALTALP-UHFFFAOYSA-N
XLogP0.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfonyl iodide?
The IUPAC name of cyclopropanesulfonyl iodide (CID 22935899) is cyclopropanesulfonyl iodide.
What is the SMILES notation for cyclopropanesulfonyl iodide?
The canonical SMILES for cyclopropanesulfonyl iodide is O=S(=O)(I)C1CC1.
What is the InChIKey of cyclopropanesulfonyl iodide?
The InChIKey is NHKOAXBTALTALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2.
What are the key properties of cyclopropanesulfonyl iodide?
cyclopropanesulfonyl iodide has a molecular weight of 232.04 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfonyl iodide is sourced from PubChem (CID 22935899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).