1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane

C6H11BrO2S — CID 65008218

IUPAC1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane
SMILESCS(=O)(=O)CC1(CBr)CC1
InChIInChI=1S/C6H11BrO2S/c1-10(8,9)5-6(4-7)2-3-6/h2-5H2,1H3
InChIKeySXXUNLPFKDPLRC-UHFFFAOYSA-N
MW227.12 g/mol
LogP1.21
Rot. Bonds3

About 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane

1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane (PubChem CID 65008218) has the molecular formula C6H11BrO2S and a molecular weight of 227.12 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane
PubChem CID65008218
Molecular FormulaC6H11BrO2S
Molecular Weight227.12 g/mol
Exact Mass225.97
IUPAC Name1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane
SMILESCS(=O)(=O)CC1(CBr)CC1
InChIInChI=1S/C6H11BrO2S/c1-10(8,9)5-6(4-7)2-3-6/h2-5H2,1H3
InChIKeySXXUNLPFKDPLRC-UHFFFAOYSA-N
XLogP1.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 51.21
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-(methylsulfonylmethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane (CID 65008218) is 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane is CS(=O)(=O)CC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane?
The InChIKey is SXXUNLPFKDPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2S/c1-10(8,9)5-6(4-7)2-3-6/h2-5H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane?
1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane has a molecular weight of 227.12 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane is sourced from PubChem (CID 65008218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).