2-sulfonylpropane

C3H6O2S — CID 21225910

IUPAC2-sulfonylpropane
SMILESCC(C)=S(=O)=O
InChIInChI=1S/C3H6O2S/c1-3(2)6(4)5/h1-2H3
InChIKeyAWZRBUVZMPCWDR-UHFFFAOYSA-N
MW106.15 g/mol
LogP0.08
Rot. Bonds

About 2-sulfonylpropane

2-sulfonylpropane (PubChem CID 21225910) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is 2-sulfonylpropane.

Molecular Properties

Compound Name2-sulfonylpropane
PubChem CID21225910
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Name2-sulfonylpropane
SMILESCC(C)=S(=O)=O
InChIInChI=1S/C3H6O2S/c1-3(2)6(4)5/h1-2H3
InChIKeyAWZRBUVZMPCWDR-UHFFFAOYSA-N
XLogP0.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfonylpropane?
The IUPAC name of 2-sulfonylpropane (CID 21225910) is 2-sulfonylpropane.
What is the SMILES notation for 2-sulfonylpropane?
The canonical SMILES for 2-sulfonylpropane is CC(C)=S(=O)=O.
What is the InChIKey of 2-sulfonylpropane?
The InChIKey is AWZRBUVZMPCWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S/c1-3(2)6(4)5/h1-2H3.
What are the key properties of 2-sulfonylpropane?
2-sulfonylpropane has a molecular weight of 106.15 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonylpropane is sourced from PubChem (CID 21225910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).