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

C13H22O3S — CID 107777736

IUPACmethyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC2CCCC2)CC1
InChIInChI=1S/C13H22O3S/c1-16-12(14)8-13(6-7-13)10-17(15)9-11-4-2-3-5-11/h11H,2-10H2,1H3
InChIKeyGVPKCJLXANPNKA-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.27
Rot. Bonds6

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

methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate (PubChem CID 107777736) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
PubChem CID107777736
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Namemethyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC2CCCC2)CC1
InChIInChI=1S/C13H22O3S/c1-16-12(14)8-13(6-7-13)10-17(15)9-11-4-2-3-5-11/h11H,2-10H2,1H3
InChIKeyGVPKCJLXANPNKA-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777987
methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate
CID 107777842
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
methyl 2-[1-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777913
methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 107777860
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
methyl 2-[1-[(3-cyclopentyl-2-hydroxypropyl)sulfanylmethyl]cyclopropyl]acetate
CID 114000240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate (CID 107777736) is methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)CC2CCCC2)CC1.
What is the InChIKey of methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate?
The InChIKey is GVPKCJLXANPNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c1-16-12(14)8-13(6-7-13)10-17(15)9-11-4-2-3-5-11/h11H,2-10H2,1H3.
What are the key properties of methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate?
methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate has a molecular weight of 258.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107777736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).