3-ethenylsulfonyl-2-methylprop-1-ene

C6H10O2S — CID 23466772

IUPAC3-ethenylsulfonyl-2-methylprop-1-ene
SMILESC=CS(=O)(=O)CC(=C)C
InChIInChI=1S/C6H10O2S/c1-4-9(7,8)5-6(2)3/h4H,1-2,5H2,3H3
InChIKeyQICFSUQLADBZQN-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.12
Rot. Bonds3

About 3-ethenylsulfonyl-2-methylprop-1-ene

3-ethenylsulfonyl-2-methylprop-1-ene (PubChem CID 23466772) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-ethenylsulfonyl-2-methylprop-1-ene.

Molecular Properties

Compound Name3-ethenylsulfonyl-2-methylprop-1-ene
PubChem CID23466772
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name3-ethenylsulfonyl-2-methylprop-1-ene
SMILESC=CS(=O)(=O)CC(=C)C
InChIInChI=1S/C6H10O2S/c1-4-9(7,8)5-6(2)3/h4H,1-2,5H2,3H3
InChIKeyQICFSUQLADBZQN-UHFFFAOYSA-N
XLogP1.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-2-methylprop-1-ene?
The IUPAC name of 3-ethenylsulfonyl-2-methylprop-1-ene (CID 23466772) is 3-ethenylsulfonyl-2-methylprop-1-ene.
What is the SMILES notation for 3-ethenylsulfonyl-2-methylprop-1-ene?
The canonical SMILES for 3-ethenylsulfonyl-2-methylprop-1-ene is C=CS(=O)(=O)CC(=C)C.
What is the InChIKey of 3-ethenylsulfonyl-2-methylprop-1-ene?
The InChIKey is QICFSUQLADBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-9(7,8)5-6(2)3/h4H,1-2,5H2,3H3.
What are the key properties of 3-ethenylsulfonyl-2-methylprop-1-ene?
3-ethenylsulfonyl-2-methylprop-1-ene has a molecular weight of 146.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-2-methylprop-1-ene is sourced from PubChem (CID 23466772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).