1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane

C11H21BrO2S — CID 106798674

IUPAC1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane
SMILESCC(Br)C1(CCS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H21BrO2S/c1-9(12)11(5-6-11)7-8-15(13,14)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyUDACOCHKTLWONF-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.15
Rot. Bonds4

About 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane

1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane (PubChem CID 106798674) has the molecular formula C11H21BrO2S and a molecular weight of 297.26 g/mol. Its IUPAC name is 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane.

Molecular Properties

Compound Name1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane
PubChem CID106798674
Molecular FormulaC11H21BrO2S
Molecular Weight297.26 g/mol
Exact Mass296.04
IUPAC Name1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane
SMILESCC(Br)C1(CCS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H21BrO2S/c1-9(12)11(5-6-11)7-8-15(13,14)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyUDACOCHKTLWONF-UHFFFAOYSA-N
XLogP3.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.15
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-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane?
The IUPAC name of 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane (CID 106798674) is 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane.
What is the SMILES notation for 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane?
The canonical SMILES for 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane is CC(Br)C1(CCS(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane?
The InChIKey is UDACOCHKTLWONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2S/c1-9(12)11(5-6-11)7-8-15(13,14)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane?
1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane has a molecular weight of 297.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-1-(2-tert-butylsulfonylethyl)cyclopropane is sourced from PubChem (CID 106798674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).