methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate

C14H16O4S — CID 135047759

IUPACmethyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
SMILESC=CC1CC1(C(=O)OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16O4S/c1-4-11-9-14(11,13(15)18-3)19(16,17)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3
InChIKeyZXUNZWLOJTVWFN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate

methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate (PubChem CID 135047759) has the molecular formula C14H16O4S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
PubChem CID135047759
Molecular FormulaC14H16O4S
Molecular Weight280.35 g/mol
Exact Mass280.08
IUPAC Namemethyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
SMILESC=CC1CC1(C(=O)OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H16O4S/c1-4-11-9-14(11,13(15)18-3)19(16,17)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3
InChIKeyZXUNZWLOJTVWFN-UHFFFAOYSA-N
XLogP1.89
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl (4-methylbenzene-1-sulfonyl)acetate
CID 39660
4-(4-Methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester
CID 3239604
3-(4-Methylphenyl)sulfonyloxolan-2-one
CID 2947420
Methyl 6-{[(4-methylphenyl)sulfonyl]oxy}hexanoate
CID 357797
Acetic acid, (p-tolylsulfonyl)-, ethyl ester
CID 76102
Methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 759357
Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate
CID 71310786
1-((3,4-Dimethylphenyl)sulfonyl)cyclopropanecarboxylic acid
CID 846187
Ethyl 2-tosylpropanoate
CID 10848678
Methyl 3-((4-trifluoromethylphenyl)sulfonyl)propanoate
CID 106584531
cis-ethyl (1R,2R)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]cyclopropane-1-carboxylate
CID 135013127
cis-ethyl (1R,2R)-2-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]cyclopropane-1-carboxylate
CID 135013128

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate (CID 135047759) is methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate is C=CC1CC1(C(=O)OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate?
The InChIKey is ZXUNZWLOJTVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4S/c1-4-11-9-14(11,13(15)18-3)19(16,17)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3.
What are the key properties of methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate?
methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate is sourced from PubChem (CID 135047759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).