methyl 3-cyclohexylsulfonyloxetane-3-carboxylate

C11H18O5S — CID 117037599

IUPACmethyl 3-cyclohexylsulfonyloxetane-3-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)C2CCCCC2)COC1
InChIInChI=1S/C11H18O5S/c1-15-10(12)11(7-16-8-11)17(13,14)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyBFPHJVAWOUXKLR-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.68
Rot. Bonds3

About methyl 3-cyclohexylsulfonyloxetane-3-carboxylate

methyl 3-cyclohexylsulfonyloxetane-3-carboxylate (PubChem CID 117037599) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 3-cyclohexylsulfonyloxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexylsulfonyloxetane-3-carboxylate
PubChem CID117037599
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Namemethyl 3-cyclohexylsulfonyloxetane-3-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)C2CCCCC2)COC1
InChIInChI=1S/C11H18O5S/c1-15-10(12)11(7-16-8-11)17(13,14)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyBFPHJVAWOUXKLR-UHFFFAOYSA-N
XLogP0.68
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-cyclohexylsulfonyloxetane-3-carboxylate 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 1-cyclohexylsulfonylcyclobutane-1-carboxylate
CID 117037537
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate
CID 102229294
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
methyl 2-cyclopentyloxirane-2-carboxylate
CID 91618657
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
CID 86032641
methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
CID 115248651
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide
CID 89286143
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
methyl 4-(cyclohexanecarbonyl)bicyclo[2.2.2]octane-1-carboxylate
CID 134962529
(1-cyclohexylsulfonylcyclohexyl)carbamic acid
CID 157352651

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexylsulfonyloxetane-3-carboxylate?
The IUPAC name of methyl 3-cyclohexylsulfonyloxetane-3-carboxylate (CID 117037599) is methyl 3-cyclohexylsulfonyloxetane-3-carboxylate.
What is the SMILES notation for methyl 3-cyclohexylsulfonyloxetane-3-carboxylate?
The canonical SMILES for methyl 3-cyclohexylsulfonyloxetane-3-carboxylate is COC(=O)C1(S(=O)(=O)C2CCCCC2)COC1.
What is the InChIKey of methyl 3-cyclohexylsulfonyloxetane-3-carboxylate?
The InChIKey is BFPHJVAWOUXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c1-15-10(12)11(7-16-8-11)17(13,14)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of methyl 3-cyclohexylsulfonyloxetane-3-carboxylate?
methyl 3-cyclohexylsulfonyloxetane-3-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexylsulfonyloxetane-3-carboxylate is sourced from PubChem (CID 117037599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).