methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate

C14H22O6S — CID 2303880

IUPACmethyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)C2(C(=O)OC)CCCC2)CCCC1
InChIInChI=1S/C14H22O6S/c1-19-11(15)13(7-3-4-8-13)21(17,18)14(12(16)20-2)9-5-6-10-14/h3-10H2,1-2H3
InChIKeyLOVKNOPMQXNQPZ-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.37
Rot. Bonds4

About methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate

methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate (PubChem CID 2303880) has the molecular formula C14H22O6S and a molecular weight of 318.39 g/mol. Its IUPAC name is methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate
PubChem CID2303880
Molecular FormulaC14H22O6S
Molecular Weight318.39 g/mol
Exact Mass318.11
IUPAC Namemethyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)C2(C(=O)OC)CCCC2)CCCC1
InChIInChI=1S/C14H22O6S/c1-19-11(15)13(7-3-4-8-13)21(17,18)14(12(16)20-2)9-5-6-10-14/h3-10H2,1-2H3
InChIKeyLOVKNOPMQXNQPZ-UHFFFAOYSA-N
XLogP1.37
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate (CID 2303880) is methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate is COC(=O)C1(S(=O)(=O)C2(C(=O)OC)CCCC2)CCCC1.
What is the InChIKey of methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is LOVKNOPMQXNQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6S/c1-19-11(15)13(7-3-4-8-13)21(17,18)14(12(16)20-2)9-5-6-10-14/h3-10H2,1-2H3.
What are the key properties of methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate?
methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 318.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 2303880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).