cyclopent-2-en-1-ylmethanesulfonyl chloride

C6H9ClO2S — CID 105439148

IUPACcyclopent-2-en-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C=CCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2
InChIKeyOYORFLMBNPELED-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.52
Rot. Bonds2

About cyclopent-2-en-1-ylmethanesulfonyl chloride

cyclopent-2-en-1-ylmethanesulfonyl chloride (PubChem CID 105439148) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is cyclopent-2-en-1-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namecyclopent-2-en-1-ylmethanesulfonyl chloride
PubChem CID105439148
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Namecyclopent-2-en-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C=CCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2
InChIKeyOYORFLMBNPELED-UHFFFAOYSA-N
XLogP1.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-ylmethanesulfonyl chloride?
The IUPAC name of cyclopent-2-en-1-ylmethanesulfonyl chloride (CID 105439148) is cyclopent-2-en-1-ylmethanesulfonyl chloride.
What is the SMILES notation for cyclopent-2-en-1-ylmethanesulfonyl chloride?
The canonical SMILES for cyclopent-2-en-1-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-ylmethanesulfonyl chloride?
The InChIKey is OYORFLMBNPELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2.
What are the key properties of cyclopent-2-en-1-ylmethanesulfonyl chloride?
cyclopent-2-en-1-ylmethanesulfonyl chloride has a molecular weight of 180.66 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-ylmethanesulfonyl chloride is sourced from PubChem (CID 105439148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).