cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane

C5H10O2S — CID 89002807

IUPACcis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
SMILESC[C@@H]1C[C@@H]1S(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-4-3-5(4)8(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyAOWYGOGOGICNBG-UHNVWZDZSA-N
MW134.20 g/mol
LogP0.44
Rot. Bonds1

About cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane

cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane (PubChem CID 89002807) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
PubChem CID89002807
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Namecis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
SMILESC[C@@H]1C[C@@H]1S(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-4-3-5(4)8(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyAOWYGOGOGICNBG-UHNVWZDZSA-N
XLogP0.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane?
The IUPAC name of cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane (CID 89002807) is cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane.
What is the SMILES notation for cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane?
The canonical SMILES for cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane is C[C@@H]1C[C@@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane?
The InChIKey is AOWYGOGOGICNBG-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4-3-5(4)8(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane?
cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane has a molecular weight of 134.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane is sourced from PubChem (CID 89002807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).