methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate

C10H18O5S2 — CID 107777735

IUPACmethyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O5S2/c1-15-9(11)7-10(3-4-10)8-16(12)5-6-17(2,13)14/h3-8H2,1-2H3
InChIKeyFMLRIBOUIOZDOG-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.12
Rot. Bonds7

About methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate

methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate (PubChem CID 107777735) has the molecular formula C10H18O5S2 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
PubChem CID107777735
Molecular FormulaC10H18O5S2
Molecular Weight282.38 g/mol
Exact Mass282.06
IUPAC Namemethyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O5S2/c1-15-9(11)7-10(3-4-10)8-16(12)5-6-17(2,13)14/h3-8H2,1-2H3
InChIKeyFMLRIBOUIOZDOG-UHFFFAOYSA-N
XLogP0.12
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
CID 107776022
methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777736
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777867
methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 107777860
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate (CID 107777735) is methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)CCS(C)(=O)=O)CC1.
What is the InChIKey of methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate?
The InChIKey is FMLRIBOUIOZDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S2/c1-15-9(11)7-10(3-4-10)8-16(12)5-6-17(2,13)14/h3-8H2,1-2H3.
What are the key properties of methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate?
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate has a molecular weight of 282.38 g/mol, XLogP of 0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107777735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).