1-ethylsulfonylpropane

C5H12O2S — CID 520507

IUPAC1-ethylsulfonylpropane
SMILESCCCS(=O)(=O)CC
InChIInChI=1S/C5H12O2S/c1-3-5-8(6,7)4-2/h3-5H2,1-2H3
InChIKeyURDYJNJREUFXGD-UHFFFAOYSA-N
MW136.22 g/mol
LogP0.83
Rot. Bonds3

About 1-ethylsulfonylpropane

1-ethylsulfonylpropane (PubChem CID 520507) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is 1-ethylsulfonylpropane.

Molecular Properties

Compound Name1-ethylsulfonylpropane
PubChem CID520507
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name1-ethylsulfonylpropane
SMILESCCCS(=O)(=O)CC
InChIInChI=1S/C5H12O2S/c1-3-5-8(6,7)4-2/h3-5H2,1-2H3
InChIKeyURDYJNJREUFXGD-UHFFFAOYSA-N
XLogP0.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpropane?
The IUPAC name of 1-ethylsulfonylpropane (CID 520507) is 1-ethylsulfonylpropane.
What is the SMILES notation for 1-ethylsulfonylpropane?
The canonical SMILES for 1-ethylsulfonylpropane is CCCS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonylpropane?
The InChIKey is URDYJNJREUFXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-3-5-8(6,7)4-2/h3-5H2,1-2H3.
What are the key properties of 1-ethylsulfonylpropane?
1-ethylsulfonylpropane has a molecular weight of 136.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpropane is sourced from PubChem (CID 520507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).