1-ethyl-1-(methylsulfonylmethyl)cyclopropane

C7H14O2S — CID 123657531

IUPAC1-ethyl-1-(methylsulfonylmethyl)cyclopropane
SMILESCCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C7H14O2S/c1-3-7(4-5-7)6-10(2,8)9/h3-6H2,1-2H3
InChIKeyWBCYQILENNPTDA-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.22
Rot. Bonds3

About 1-ethyl-1-(methylsulfonylmethyl)cyclopropane

1-ethyl-1-(methylsulfonylmethyl)cyclopropane (PubChem CID 123657531) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 1-ethyl-1-(methylsulfonylmethyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-(methylsulfonylmethyl)cyclopropane
PubChem CID123657531
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name1-ethyl-1-(methylsulfonylmethyl)cyclopropane
SMILESCCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C7H14O2S/c1-3-7(4-5-7)6-10(2,8)9/h3-6H2,1-2H3
InChIKeyWBCYQILENNPTDA-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(methylsulfonylmethyl)cyclopropane?
The IUPAC name of 1-ethyl-1-(methylsulfonylmethyl)cyclopropane (CID 123657531) is 1-ethyl-1-(methylsulfonylmethyl)cyclopropane.
What is the SMILES notation for 1-ethyl-1-(methylsulfonylmethyl)cyclopropane?
The canonical SMILES for 1-ethyl-1-(methylsulfonylmethyl)cyclopropane is CCC1(CS(C)(=O)=O)CC1.
What is the InChIKey of 1-ethyl-1-(methylsulfonylmethyl)cyclopropane?
The InChIKey is WBCYQILENNPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-3-7(4-5-7)6-10(2,8)9/h3-6H2,1-2H3.
What are the key properties of 1-ethyl-1-(methylsulfonylmethyl)cyclopropane?
1-ethyl-1-(methylsulfonylmethyl)cyclopropane has a molecular weight of 162.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(methylsulfonylmethyl)cyclopropane is sourced from PubChem (CID 123657531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).