2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane

C7H13BrO2S — CID 54215512

IUPAC2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)C=CCBr
InChIInChI=1S/C7H13BrO2S/c1-7(2,3)11(9,10)6-4-5-8/h4,6H,5H2,1-3H3
InChIKeyPYXKQSHASRNZIU-UHFFFAOYSA-N
MW241.15 g/mol
LogP2.11
Rot. Bonds2

About 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane

2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane (PubChem CID 54215512) has the molecular formula C7H13BrO2S and a molecular weight of 241.15 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane
PubChem CID54215512
Molecular FormulaC7H13BrO2S
Molecular Weight241.15 g/mol
Exact Mass239.98
IUPAC Name2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)C=CCBr
InChIInChI=1S/C7H13BrO2S/c1-7(2,3)11(9,10)6-4-5-8/h4,6H,5H2,1-3H3
InChIKeyPYXKQSHASRNZIU-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 52.11
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 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane?
The IUPAC name of 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane (CID 54215512) is 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane.
What is the SMILES notation for 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane?
The canonical SMILES for 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane is CC(C)(C)S(=O)(=O)C=CCBr.
What is the InChIKey of 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane?
The InChIKey is PYXKQSHASRNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO2S/c1-7(2,3)11(9,10)6-4-5-8/h4,6H,5H2,1-3H3.
What are the key properties of 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane?
2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane has a molecular weight of 241.15 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enylsulfonyl)-2-methylpropane is sourced from PubChem (CID 54215512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).