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

C10H18O4S2 — CID 107776022

IUPACmethyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O4S2/c1-14-9(11)7-10(3-4-10)8-15-5-6-16(2,12)13/h3-8H2,1-2H3
InChIKeyVDYNWGHMIHZODG-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.11
Rot. Bonds7

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

methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate (PubChem CID 107776022) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
PubChem CID107776022
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Namemethyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCS(C)(=O)=O)CC1
InChIInChI=1S/C10H18O4S2/c1-14-9(11)7-10(3-4-10)8-15-5-6-16(2,12)13/h3-8H2,1-2H3
InChIKeyVDYNWGHMIHZODG-UHFFFAOYSA-N
XLogP1.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.11
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-methylsulfonylethylsulfanylmethyl)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-ethylsulfonylethylsulfanylmethyl)cyclopropyl]acetate
CID 107775995
methyl 2-[1-(2-fluoroethylsulfanylmethyl)cyclopropyl]acetate
CID 107776396
methyl 2-[1-(3-methylbutylsulfanylmethyl)cyclopropyl]acetate
CID 107775963
methyl 2-[1-(3-oxopropylsulfanylmethyl)cyclopropyl]acetate
CID 107777659
methyl 2-[1-(2-oxoethylsulfanylmethyl)cyclopropyl]acetate
CID 107777676
methyl 2-[1-[(3-methoxy-3-methylbutyl)sulfanylmethyl]cyclopropyl]acetate
CID 107776455
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-[(2-hydroxy-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107775920
methyl 2-[1-[2-(2,2,2-trifluoroethoxy)ethylsulfanylmethyl]cyclopropyl]acetate
CID 107776475
methyl 2-[1-(pentan-3-ylsulfanylmethyl)cyclopropyl]acetate
CID 107775972
methyl 2-[1-[(3-amino-2-hydroxypropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778117
methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777664

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate (CID 107776022) is methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate is COC(=O)CC1(CSCCS(C)(=O)=O)CC1.
What is the InChIKey of methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
The InChIKey is VDYNWGHMIHZODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S2/c1-14-9(11)7-10(3-4-10)8-15-5-6-16(2,12)13/h3-8H2,1-2H3.
What are the key properties of methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate?
methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate has a molecular weight of 266.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylsulfonylethylsulfanylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).