methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate

C11H20O8S2 — CID 102249368

IUPACmethyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)CCCS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C11H20O8S2/c1-18-10(12)4-8-20(14,15)6-3-7-21(16,17)9-5-11(13)19-2/h3-9H2,1-2H3
InChIKeyBVKLGVAWENMRTA-UHFFFAOYSA-N
MW344.41 g/mol
LogP-0.67
Rot. Bonds10

About methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate

methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate (PubChem CID 102249368) has the molecular formula C11H20O8S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate
PubChem CID102249368
Molecular FormulaC11H20O8S2
Molecular Weight344.41 g/mol
Exact Mass344.06
IUPAC Namemethyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)CCCS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C11H20O8S2/c1-18-10(12)4-8-20(14,15)6-3-7-21(16,17)9-5-11(13)19-2/h3-9H2,1-2H3
InChIKeyBVKLGVAWENMRTA-UHFFFAOYSA-N
XLogP-0.67
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-(5-oxohexylsulfonyl)propanoate
CID 64636719
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate
CID 43617881
methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate
CID 64675159
methyl 3-(cyanomethylsulfonyl)propanoate
CID 43618193
methyl 3-[2-(3-bromobutylsulfonyl)ethylsulfonyl]propanoate
CID 90185854
methyl 3-sulfamoylpropanoate
CID 16787339
methyl 3-methoxysulfonylpropanoate
CID 11019488
methyl 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methylpropanoate
CID 43617848
methyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686629
methyl 3-[2-(2-aminoethylamino)-2-oxoethyl]sulfonylpropanoate
CID 64697428
3-(3-methylsulfonylpropylsulfonyl)propanoic acid
CID 63191877

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate?
The IUPAC name of methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate (CID 102249368) is methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate.
What is the SMILES notation for methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate?
The canonical SMILES for methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate is COC(=O)CCS(=O)(=O)CCCS(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate?
The InChIKey is BVKLGVAWENMRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O8S2/c1-18-10(12)4-8-20(14,15)6-3-7-21(16,17)9-5-11(13)19-2/h3-9H2,1-2H3.
What are the key properties of methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate?
methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate has a molecular weight of 344.41 g/mol, XLogP of -0.67, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate is sourced from PubChem (CID 102249368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).