1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane

C9H18O2S — CID 20769620

IUPAC1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane
SMILESCCC1CC1(CC)CS(C)(=O)=O
InChIInChI=1S/C9H18O2S/c1-4-8-6-9(8,5-2)7-12(3,10)11/h8H,4-7H2,1-3H3
InChIKeyOCXQPPRXUFXVOW-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.86
Rot. Bonds4

About 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane

1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane (PubChem CID 20769620) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane.

Molecular Properties

Compound Name1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane
PubChem CID20769620
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane
SMILESCCC1CC1(CC)CS(C)(=O)=O
InChIInChI=1S/C9H18O2S/c1-4-8-6-9(8,5-2)7-12(3,10)11/h8H,4-7H2,1-3H3
InChIKeyOCXQPPRXUFXVOW-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane?
The IUPAC name of 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane (CID 20769620) is 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane.
What is the SMILES notation for 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane?
The canonical SMILES for 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane is CCC1CC1(CC)CS(C)(=O)=O.
What is the InChIKey of 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane?
The InChIKey is OCXQPPRXUFXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-4-8-6-9(8,5-2)7-12(3,10)11/h8H,4-7H2,1-3H3.
What are the key properties of 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane?
1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane has a molecular weight of 190.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-(methylsulfonylmethyl)cyclopropane is sourced from PubChem (CID 20769620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).