ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate

C14H18O5S — CID 156778715

IUPACethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1COS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H18O5S/c1-2-18-14(15)13-8-12(13)9-19-20(16,17)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyZHSRYMGREYQVGU-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.73
Rot. Bonds7

About ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate

ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate (PubChem CID 156778715) has the molecular formula C14H18O5S and a molecular weight of 298.36 g/mol. Its IUPAC name is ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate
PubChem CID156778715
Molecular FormulaC14H18O5S
Molecular Weight298.36 g/mol
Exact Mass298.09
IUPAC Nameethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1COS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H18O5S/c1-2-18-14(15)13-8-12(13)9-19-20(16,17)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyZHSRYMGREYQVGU-UHFFFAOYSA-N
XLogP1.73
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
cis-ethyl (1S,2S)-2-[(4-methylphenoxy)methyl]cyclopropane-1-carboxylate
CID 142479617
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
trans-ethyl (2S,4R)-4-(dibenzylamino)-2-ethylcyclopentane-1-carboxylate
CID 58010141
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
ethyl 2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]acetate
CID 141499088
ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
CID 42796797
(2S,4R)-4-benzylsulfonyloxy-2-(benzylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid
CID 141433816
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate (CID 156778715) is ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1COS(=O)(=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate?
The InChIKey is ZHSRYMGREYQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5S/c1-2-18-14(15)13-8-12(13)9-19-20(16,17)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate?
ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylsulfonyloxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 156778715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).