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

C11H20O3S — CID 107777928

IUPACmethyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC(C)C)CC1
InChIInChI=1S/C11H20O3S/c1-9(2)7-15(13)8-11(4-5-11)6-10(12)14-3/h9H,4-8H2,1-3H3
InChIKeyDXGKSSAKXZZNBA-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.73
Rot. Bonds6

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

methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate (PubChem CID 107777928) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
PubChem CID107777928
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Namemethyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC(C)C)CC1
InChIInChI=1S/C11H20O3S/c1-9(2)7-15(13)8-11(4-5-11)6-10(12)14-3/h9H,4-8H2,1-3H3
InChIKeyDXGKSSAKXZZNBA-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 107777860
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777736
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777867
methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777752
methyl 2-[1-(3-methylbutylsulfanylmethyl)cyclopropyl]acetate
CID 107775963
methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777756

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate (CID 107777928) is methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)CC(C)C)CC1.
What is the InChIKey of methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate?
The InChIKey is DXGKSSAKXZZNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-9(2)7-15(13)8-11(4-5-11)6-10(12)14-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate?
methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate has a molecular weight of 232.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107777928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).