methylsulfonylcyclopropane

C4H8O2S — CID 12678417

IUPACmethylsulfonylcyclopropane
SMILESCS(=O)(=O)C1CC1
InChIInChI=1S/C4H8O2S/c1-7(5,6)4-2-3-4/h4H,2-3H2,1H3
InChIKeyTYKALBWEPNHUGZ-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.19
Rot. Bonds1

About methylsulfonylcyclopropane

methylsulfonylcyclopropane (PubChem CID 12678417) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is methylsulfonylcyclopropane.

Molecular Properties

Compound Namemethylsulfonylcyclopropane
PubChem CID12678417
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Namemethylsulfonylcyclopropane
SMILESCS(=O)(=O)C1CC1
InChIInChI=1S/C4H8O2S/c1-7(5,6)4-2-3-4/h4H,2-3H2,1H3
InChIKeyTYKALBWEPNHUGZ-UHFFFAOYSA-N
XLogP0.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylcyclopropane?
The IUPAC name of methylsulfonylcyclopropane (CID 12678417) is methylsulfonylcyclopropane.
What is the SMILES notation for methylsulfonylcyclopropane?
The canonical SMILES for methylsulfonylcyclopropane is CS(=O)(=O)C1CC1.
What is the InChIKey of methylsulfonylcyclopropane?
The InChIKey is TYKALBWEPNHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c1-7(5,6)4-2-3-4/h4H,2-3H2,1H3.
What are the key properties of methylsulfonylcyclopropane?
methylsulfonylcyclopropane has a molecular weight of 120.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylcyclopropane is sourced from PubChem (CID 12678417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).