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

C11H20O6S2 — CID 107776601

IUPACmethyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
SMILESCCS(=O)(=O)CCS(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C11H20O6S2/c1-3-18(13,14)6-7-19(15,16)9-11(4-5-11)8-10(12)17-2/h3-9H2,1-2H3
InChIKeyPNCZBOUYSZFFTJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.18
Rot. Bonds8

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

methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776601) has the molecular formula C11H20O6S2 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
PubChem CID107776601
Molecular FormulaC11H20O6S2
Molecular Weight312.41 g/mol
Exact Mass312.07
IUPAC Namemethyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
SMILESCCS(=O)(=O)CCS(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C11H20O6S2/c1-3-18(13,14)6-7-19(15,16)9-11(4-5-11)8-10(12)17-2/h3-9H2,1-2H3
InChIKeyPNCZBOUYSZFFTJ-UHFFFAOYSA-N
XLogP0.18
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107778276
methyl 2-[1-(3,3-diethoxypropylsulfonylmethyl)cyclopropyl]acetate
CID 107778650
methyl 2-[1-(3-ethylsulfanylpropylsulfonylmethyl)cyclopropyl]acetate
CID 107776826
methyl 2-[1-[2-(propan-2-ylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 114000474
methyl 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776669
methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
CID 107775995
methyl 3-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfonyl]butanoate
CID 107776563
methyl 2-[1-[(3,5-dimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776733
methyl 2-[1-[(2-amino-3,3-dimethylbutyl)sulfonylmethyl]cyclopropyl]acetate
CID 107778273
methyl 2-[1-[(4-chlorophenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776727
methyl 2-[1-[(4-methoxyphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776739

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate (CID 107776601) is methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate is CCS(=O)(=O)CCS(=O)(=O)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate?
The InChIKey is PNCZBOUYSZFFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6S2/c1-3-18(13,14)6-7-19(15,16)9-11(4-5-11)8-10(12)17-2/h3-9H2,1-2H3.
What are the key properties of methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate?
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 312.41 g/mol, XLogP of 0.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).