1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane

C8H15BrO2S — CID 165442919

IUPAC1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane
SMILESCC1CC1(CBr)CCS(C)(=O)=O
InChIInChI=1S/C8H15BrO2S/c1-7-5-8(7,6-9)3-4-12(2,10)11/h7H,3-6H2,1-2H3
InChIKeyKUUBLCBHLRIXQA-UHFFFAOYSA-N
MW255.18 g/mol
LogP1.84
Rot. Bonds4

About 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane

1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane (PubChem CID 165442919) has the molecular formula C8H15BrO2S and a molecular weight of 255.18 g/mol. Its IUPAC name is 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane
PubChem CID165442919
Molecular FormulaC8H15BrO2S
Molecular Weight255.18 g/mol
Exact Mass254.00
IUPAC Name1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane
SMILESCC1CC1(CBr)CCS(C)(=O)=O
InChIInChI=1S/C8H15BrO2S/c1-7-5-8(7,6-9)3-4-12(2,10)11/h7H,3-6H2,1-2H3
InChIKeyKUUBLCBHLRIXQA-UHFFFAOYSA-N
XLogP1.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.84
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)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane (CID 165442919) is 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane is CC1CC1(CBr)CCS(C)(=O)=O.
What is the InChIKey of 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane?
The InChIKey is KUUBLCBHLRIXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2S/c1-7-5-8(7,6-9)3-4-12(2,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane?
1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane has a molecular weight of 255.18 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-methyl-1-(2-methylsulfonylethyl)cyclopropane is sourced from PubChem (CID 165442919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).