methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate

C12H20O5S — CID 107776635

IUPACmethyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H20O5S/c1-16-11(13)7-12(4-5-12)9-18(14,15)8-10-3-2-6-17-10/h10H,2-9H2,1H3
InChIKeyHTEVKIDPRPSDOC-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.92
Rot. Bonds6

About methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate

methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776635) has the molecular formula C12H20O5S and a molecular weight of 276.35 g/mol. Its IUPAC name is methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate
PubChem CID107776635
Molecular FormulaC12H20O5S
Molecular Weight276.35 g/mol
Exact Mass276.10
IUPAC Namemethyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H20O5S/c1-16-11(13)7-12(4-5-12)9-18(14,15)8-10-3-2-6-17-10/h10H,2-9H2,1H3
InChIKeyHTEVKIDPRPSDOC-UHFFFAOYSA-N
XLogP0.92
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)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-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776814
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
methyl 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776669
methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107778276
methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate
CID 107778182
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
methyl 3-(oxolan-2-ylmethyl)but-3-enoate
CID 117268632
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
CID 106493674
methyl 2-[1-[(2-amino-3,3-dimethylbutyl)sulfonylmethyl]cyclopropyl]acetate
CID 107778273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate (CID 107776635) is methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate?
The InChIKey is HTEVKIDPRPSDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5S/c1-16-11(13)7-12(4-5-12)9-18(14,15)8-10-3-2-6-17-10/h10H,2-9H2,1H3.
What are the key properties of methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate?
methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 276.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).