1-(bromomethyl)-1-methylsulfonylcyclobutane

C6H11BrO2S — CID 131558215

IUPAC1-(bromomethyl)-1-methylsulfonylcyclobutane
SMILESCS(=O)(=O)C1(CBr)CCC1
InChIInChI=1S/C6H11BrO2S/c1-10(8,9)6(5-7)3-2-4-6/h2-5H2,1H3
InChIKeyBEQLOFOFXMLOON-UHFFFAOYSA-N
MW227.12 g/mol
LogP1.35
Rot. Bonds2

About 1-(bromomethyl)-1-methylsulfonylcyclobutane

1-(bromomethyl)-1-methylsulfonylcyclobutane (PubChem CID 131558215) has the molecular formula C6H11BrO2S and a molecular weight of 227.12 g/mol. Its IUPAC name is 1-(bromomethyl)-1-methylsulfonylcyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-methylsulfonylcyclobutane
PubChem CID131558215
Molecular FormulaC6H11BrO2S
Molecular Weight227.12 g/mol
Exact Mass225.97
IUPAC Name1-(bromomethyl)-1-methylsulfonylcyclobutane
SMILESCS(=O)(=O)C1(CBr)CCC1
InChIInChI=1S/C6H11BrO2S/c1-10(8,9)6(5-7)3-2-4-6/h2-5H2,1H3
InChIKeyBEQLOFOFXMLOON-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-methylsulfonylcyclobutane?
The IUPAC name of 1-(bromomethyl)-1-methylsulfonylcyclobutane (CID 131558215) is 1-(bromomethyl)-1-methylsulfonylcyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-methylsulfonylcyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-methylsulfonylcyclobutane is CS(=O)(=O)C1(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-1-methylsulfonylcyclobutane?
The InChIKey is BEQLOFOFXMLOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2S/c1-10(8,9)6(5-7)3-2-4-6/h2-5H2,1H3.
What are the key properties of 1-(bromomethyl)-1-methylsulfonylcyclobutane?
1-(bromomethyl)-1-methylsulfonylcyclobutane has a molecular weight of 227.12 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-methylsulfonylcyclobutane is sourced from PubChem (CID 131558215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).