methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate

C11H18O4S — CID 107776814

IUPACmethyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C11H18O4S/c1-15-10(12)7-11(5-6-11)8-16(13,14)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyQFUQBYAWFQTYBY-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate

methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776814) has the molecular formula C11H18O4S and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
PubChem CID107776814
Molecular FormulaC11H18O4S
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Namemethyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)C2CCC2)CC1
InChIInChI=1S/C11H18O4S/c1-15-10(12)7-11(5-6-11)8-16(13,14)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyQFUQBYAWFQTYBY-UHFFFAOYSA-N
XLogP1.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107776619
methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate
CID 107778182
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601
2-[1-[(3-methylcyclohexyl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65442326
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate
CID 107778198
methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate
CID 107776635
methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107778276
methyl 3-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfonyl]butanoate
CID 107776563
methyl 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776669
methyl 2-[1-[2-(propan-2-ylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 114000474
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate (CID 107776814) is methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)C2CCC2)CC1.
What is the InChIKey of methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate?
The InChIKey is QFUQBYAWFQTYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4S/c1-15-10(12)7-11(5-6-11)8-16(13,14)9-3-2-4-9/h9H,2-8H2,1H3.
What are the key properties of methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate?
methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 246.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).