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

C11H20O4S2 — CID 107775995

IUPACmethyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
SMILESCCS(=O)(=O)CCSCC1(CC(=O)OC)CC1
InChIInChI=1S/C11H20O4S2/c1-3-17(13,14)7-6-16-9-11(4-5-11)8-10(12)15-2/h3-9H2,1-2H3
InChIKeyAYKWLTIHUJVVKZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.50
Rot. Bonds8

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

methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate (PubChem CID 107775995) has the molecular formula C11H20O4S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
PubChem CID107775995
Molecular FormulaC11H20O4S2
Molecular Weight280.41 g/mol
Exact Mass280.08
IUPAC Namemethyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
SMILESCCS(=O)(=O)CCSCC1(CC(=O)OC)CC1
InChIInChI=1S/C11H20O4S2/c1-3-17(13,14)7-6-16-9-11(4-5-11)8-10(12)15-2/h3-9H2,1-2H3
InChIKeyAYKWLTIHUJVVKZ-UHFFFAOYSA-N
XLogP1.50
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[1-[2-(trifluoromethoxy)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107776585
Methyl 2-[1-[2-(2,2,2-trifluoroethoxy)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107776633
Methyl 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetate
CID 107776667
Methyl 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776669
Methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776691
Methyl 2-[1-(2,2-difluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776697
Methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate
CID 107776714
Methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate
CID 107776722
Methyl 2-[1-(4,4,4-trifluorobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776745
Methyl 2-[1-[3-(2,2,2-trifluoroethoxy)propylsulfonylmethyl]cyclopropyl]acetate
CID 107776781
Methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate
CID 107776789
Methyl 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetate
CID 107776830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate (CID 107775995) is methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate is CCS(=O)(=O)CCSCC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
The InChIKey is AYKWLTIHUJVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S2/c1-3-17(13,14)7-6-16-9-11(4-5-11)8-10(12)15-2/h3-9H2,1-2H3.
What are the key properties of methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate has a molecular weight of 280.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107775995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).