1-(3-bromopropylsulfonyl)-3-methoxypropane

C7H15BrO3S — CID 63857545

IUPAC1-(3-bromopropylsulfonyl)-3-methoxypropane
SMILESCOCCCS(=O)(=O)CCCBr
InChIInChI=1S/C7H15BrO3S/c1-11-5-3-7-12(9,10)6-2-4-8/h2-7H2,1H3
InChIKeyJCFURWIPNZDCQQ-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.22
Rot. Bonds7

About 1-(3-bromopropylsulfonyl)-3-methoxypropane

1-(3-bromopropylsulfonyl)-3-methoxypropane (PubChem CID 63857545) has the molecular formula C7H15BrO3S and a molecular weight of 259.16 g/mol. Its IUPAC name is 1-(3-bromopropylsulfonyl)-3-methoxypropane.

Molecular Properties

Compound Name1-(3-bromopropylsulfonyl)-3-methoxypropane
PubChem CID63857545
Molecular FormulaC7H15BrO3S
Molecular Weight259.16 g/mol
Exact Mass257.99
IUPAC Name1-(3-bromopropylsulfonyl)-3-methoxypropane
SMILESCOCCCS(=O)(=O)CCCBr
InChIInChI=1S/C7H15BrO3S/c1-11-5-3-7-12(9,10)6-2-4-8/h2-7H2,1H3
InChIKeyJCFURWIPNZDCQQ-UHFFFAOYSA-N
XLogP1.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropylsulfonyl)-3-methoxypropane?
The IUPAC name of 1-(3-bromopropylsulfonyl)-3-methoxypropane (CID 63857545) is 1-(3-bromopropylsulfonyl)-3-methoxypropane.
What is the SMILES notation for 1-(3-bromopropylsulfonyl)-3-methoxypropane?
The canonical SMILES for 1-(3-bromopropylsulfonyl)-3-methoxypropane is COCCCS(=O)(=O)CCCBr.
What is the InChIKey of 1-(3-bromopropylsulfonyl)-3-methoxypropane?
The InChIKey is JCFURWIPNZDCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO3S/c1-11-5-3-7-12(9,10)6-2-4-8/h2-7H2,1H3.
What are the key properties of 1-(3-bromopropylsulfonyl)-3-methoxypropane?
1-(3-bromopropylsulfonyl)-3-methoxypropane has a molecular weight of 259.16 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropylsulfonyl)-3-methoxypropane is sourced from PubChem (CID 63857545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).