cyclobutanesulfonyl iodide

C4H7IO2S — CID 22935881

IUPACcyclobutanesulfonyl iodide
SMILESO=S(=O)(I)C1CCC1
InChIInChI=1S/C4H7IO2S/c5-8(6,7)4-2-1-3-4/h4H,1-3H2
InChIKeyHRSPDASGFBBZOE-UHFFFAOYSA-N
MW246.07 g/mol
LogP1.30
Rot. Bonds1

About cyclobutanesulfonyl iodide

cyclobutanesulfonyl iodide (PubChem CID 22935881) has the molecular formula C4H7IO2S and a molecular weight of 246.07 g/mol. Its IUPAC name is cyclobutanesulfonyl iodide.

Molecular Properties

Compound Namecyclobutanesulfonyl iodide
PubChem CID22935881
Molecular FormulaC4H7IO2S
Molecular Weight246.07 g/mol
Exact Mass245.92
IUPAC Namecyclobutanesulfonyl iodide
SMILESO=S(=O)(I)C1CCC1
InChIInChI=1S/C4H7IO2S/c5-8(6,7)4-2-1-3-4/h4H,1-3H2
InChIKeyHRSPDASGFBBZOE-UHFFFAOYSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclobutanesulfonyl chloride
CID 22636930
Sodium cyclobutanesulfinate
CID 68000899
Cyclobutanesulfonyl fluoride
CID 22935863
Cyclobutanesulfonyl bromide
CID 22935865
Potassium cyclobutanesulfonate
CID 23699525
Cyclobutanesulfinate
CID 57421188
Cyclobutanesulfonate
CID 59513268
Cyclobutanesulfinyl iodide
CID 117669535
Sodium cyclobutanesulfonate
CID 162328272

Frequently Asked Questions

What is the IUPAC name of cyclobutanesulfonyl iodide?
The IUPAC name of cyclobutanesulfonyl iodide (CID 22935881) is cyclobutanesulfonyl iodide.
What is the SMILES notation for cyclobutanesulfonyl iodide?
The canonical SMILES for cyclobutanesulfonyl iodide is O=S(=O)(I)C1CCC1.
What is the InChIKey of cyclobutanesulfonyl iodide?
The InChIKey is HRSPDASGFBBZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IO2S/c5-8(6,7)4-2-1-3-4/h4H,1-3H2.
What are the key properties of cyclobutanesulfonyl iodide?
cyclobutanesulfonyl iodide has a molecular weight of 246.07 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanesulfonyl iodide is sourced from PubChem (CID 22935881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).