methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate

C10H18O3S — CID 107777841

IUPACmethyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)C(C)C)CC1
InChIInChI=1S/C10H18O3S/c1-8(2)14(12)7-10(4-5-10)6-9(11)13-3/h8H,4-7H2,1-3H3
InChIKeyXSTDELDQDNKEOP-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate

methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate (PubChem CID 107777841) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
PubChem CID107777841
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Namemethyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)C(C)C)CC1
InChIInChI=1S/C10H18O3S/c1-8(2)14(12)7-10(4-5-10)6-9(11)13-3/h8H,4-7H2,1-3H3
InChIKeyXSTDELDQDNKEOP-UHFFFAOYSA-N
XLogP1.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
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-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65442762
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777867
methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate
CID 107777842
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate (CID 107777841) is methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)C(C)C)CC1.
What is the InChIKey of methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate?
The InChIKey is XSTDELDQDNKEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-8(2)14(12)7-10(4-5-10)6-9(11)13-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate?
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate has a molecular weight of 218.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107777841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).