cyclopenten-1-ylmethanesulfonyl chloride

C6H9ClO2S — CID 84657679

IUPACcyclopenten-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1=CCCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyGKNDOXBHIXDJCL-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.67
Rot. Bonds2

About cyclopenten-1-ylmethanesulfonyl chloride

cyclopenten-1-ylmethanesulfonyl chloride (PubChem CID 84657679) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is cyclopenten-1-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namecyclopenten-1-ylmethanesulfonyl chloride
PubChem CID84657679
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Namecyclopenten-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1=CCCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyGKNDOXBHIXDJCL-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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 cyclopenten-1-ylmethanesulfonyl chloride?
The IUPAC name of cyclopenten-1-ylmethanesulfonyl chloride (CID 84657679) is cyclopenten-1-ylmethanesulfonyl chloride.
What is the SMILES notation for cyclopenten-1-ylmethanesulfonyl chloride?
The canonical SMILES for cyclopenten-1-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1=CCCC1.
What is the InChIKey of cyclopenten-1-ylmethanesulfonyl chloride?
The InChIKey is GKNDOXBHIXDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h3H,1-2,4-5H2.
What are the key properties of cyclopenten-1-ylmethanesulfonyl chloride?
cyclopenten-1-ylmethanesulfonyl chloride has a molecular weight of 180.66 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylmethanesulfonyl chloride is sourced from PubChem (CID 84657679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).