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

C7H13BrO2S — CID 19348999

IUPAC2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane
SMILESC=CC(Br)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H13BrO2S/c1-5-6(8)11(9,10)7(2,3)4/h5-6H,1H2,2-4H3
InChIKeyMUWKHBUDDZTJGA-UHFFFAOYSA-N
MW241.15 g/mol
LogP2.11
Rot. Bonds2

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

2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane (PubChem CID 19348999) has the molecular formula C7H13BrO2S and a molecular weight of 241.15 g/mol. Its IUPAC name is 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane
PubChem CID19348999
Molecular FormulaC7H13BrO2S
Molecular Weight241.15 g/mol
Exact Mass239.98
IUPAC Name2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane
SMILESC=CC(Br)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H13BrO2S/c1-5-6(8)11(9,10)7(2,3)4/h5-6H,1H2,2-4H3
InChIKeyMUWKHBUDDZTJGA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane?
The IUPAC name of 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane (CID 19348999) is 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane.
What is the SMILES notation for 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane?
The canonical SMILES for 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane is C=CC(Br)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane?
The InChIKey is MUWKHBUDDZTJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO2S/c1-5-6(8)11(9,10)7(2,3)4/h5-6H,1H2,2-4H3.
What are the key properties of 2-(1-bromoprop-2-enylsulfonyl)-2-methylpropane?
2-(1-bromoprop-2-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-(1-bromoprop-2-enylsulfonyl)-2-methylpropane is sourced from PubChem (CID 19348999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).