1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane

C8H15BrO2S — CID 165443067

IUPAC1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane
SMILESCS(=O)(=O)CC1(CCCBr)CC1
InChIInChI=1S/C8H15BrO2S/c1-12(10,11)7-8(4-5-8)3-2-6-9/h2-7H2,1H3
InChIKeySXPPLWAYIXVTQQ-UHFFFAOYSA-N
MW255.18 g/mol
LogP1.99
Rot. Bonds5

About 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane

1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane (PubChem CID 165443067) has the molecular formula C8H15BrO2S and a molecular weight of 255.18 g/mol. Its IUPAC name is 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane.

Molecular Properties

Compound Name1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane
PubChem CID165443067
Molecular FormulaC8H15BrO2S
Molecular Weight255.18 g/mol
Exact Mass254.00
IUPAC Name1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane
SMILESCS(=O)(=O)CC1(CCCBr)CC1
InChIInChI=1S/C8H15BrO2S/c1-12(10,11)7-8(4-5-8)3-2-6-9/h2-7H2,1H3
InChIKeySXPPLWAYIXVTQQ-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.99
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-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane?
The IUPAC name of 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane (CID 165443067) is 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane.
What is the SMILES notation for 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane?
The canonical SMILES for 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane is CS(=O)(=O)CC1(CCCBr)CC1.
What is the InChIKey of 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane?
The InChIKey is SXPPLWAYIXVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2S/c1-12(10,11)7-8(4-5-8)3-2-6-9/h2-7H2,1H3.
What are the key properties of 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane?
1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane has a molecular weight of 255.18 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-1-(methylsulfonylmethyl)cyclopropane is sourced from PubChem (CID 165443067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).