2-methylprop-2-enylsulfonylbenzene

C10H12O2S — CID 684095

IUPAC2-methylprop-2-enylsulfonylbenzene
SMILESC=C(C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-9(2)8-13(11,12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyOFHZALKLLSXZST-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.04
Rot. Bonds3

About 2-methylprop-2-enylsulfonylbenzene

2-methylprop-2-enylsulfonylbenzene (PubChem CID 684095) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-methylprop-2-enylsulfonylbenzene.

Molecular Properties

Compound Name2-methylprop-2-enylsulfonylbenzene
PubChem CID684095
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-methylprop-2-enylsulfonylbenzene
SMILESC=C(C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-9(2)8-13(11,12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyOFHZALKLLSXZST-UHFFFAOYSA-N
XLogP2.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enylsulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylsulfonylbenzene?
The IUPAC name of 2-methylprop-2-enylsulfonylbenzene (CID 684095) is 2-methylprop-2-enylsulfonylbenzene.
What is the SMILES notation for 2-methylprop-2-enylsulfonylbenzene?
The canonical SMILES for 2-methylprop-2-enylsulfonylbenzene is C=C(C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enylsulfonylbenzene?
The InChIKey is OFHZALKLLSXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-9(2)8-13(11,12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of 2-methylprop-2-enylsulfonylbenzene?
2-methylprop-2-enylsulfonylbenzene has a molecular weight of 196.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enylsulfonylbenzene is sourced from PubChem (CID 684095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).