diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate

C10H16O6S — CID 99998367

IUPACdiethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@H]1S(C)(=O)=O
InChIInChI=1S/C10H16O6S/c1-4-15-8(11)10(9(12)16-5-2)6-7(10)17(3,13)14/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyHAJREURJAJNPPV-SSDOTTSWSA-N
MW264.30 g/mol
LogP-0.08
Rot. Bonds5

About diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate

diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate (PubChem CID 99998367) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
PubChem CID99998367
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Namediethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@H]1S(C)(=O)=O
InChIInChI=1S/C10H16O6S/c1-4-15-8(11)10(9(12)16-5-2)6-7(10)17(3,13)14/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyHAJREURJAJNPPV-SSDOTTSWSA-N
XLogP-0.08
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 102568908
diethyl 2-(4-chlorophenyl)sulfonylcyclopropane-1,1-dicarboxylate
CID 102569031
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate
CID 99998706
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
diethyl 2-oxabicyclo[3.2.0]heptane-7,7-dicarboxylate
CID 52921059
diethyl (1R,5S)-2-oxabicyclo[3.2.0]heptane-7,7-dicarboxylate
CID 102053932
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
ethyl 1-methylsulfonylcyclopentane-1-carboxylate
CID 99996897
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
CID 65044720
diethyl 4-oxobicyclo[3.2.1]octane-6,6-dicarboxylate
CID 146163835

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate (CID 99998367) is diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C[C@H]1S(C)(=O)=O.
What is the InChIKey of diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate?
The InChIKey is HAJREURJAJNPPV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16O6S/c1-4-15-8(11)10(9(12)16-5-2)6-7(10)17(3,13)14/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate?
diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate has a molecular weight of 264.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 99998367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).