ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate

C14H25NO5S — CID 79535733

IUPACethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H25NO5S/c1-2-20-14(17)10-21(18,19)15-9-4-3-7-12(15)11-6-5-8-13(11)16/h11-13,16H,2-10H2,1H3
InChIKeyXLWBSISFSNPUIA-UHFFFAOYSA-N
MW319.42 g/mol
LogP0.89
Rot. Bonds5

About ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate

ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate (PubChem CID 79535733) has the molecular formula C14H25NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
PubChem CID79535733
Molecular FormulaC14H25NO5S
Molecular Weight319.42 g/mol
Exact Mass319.15
IUPAC Nameethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCCC1C1CCCC1O
InChIInChI=1S/C14H25NO5S/c1-2-20-14(17)10-21(18,19)15-9-4-3-7-12(15)11-6-5-8-13(11)16/h11-13,16H,2-10H2,1H3
InChIKeyXLWBSISFSNPUIA-UHFFFAOYSA-N
XLogP0.89
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-ol
CID 79549347
2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
CID 79545152
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62273030
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79545684
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79592858
2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543937
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338
2-(2-hydroxycyclopentyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 79545383
2-(2-hydroxycyclopentyl)-N-methylpiperidine-1-sulfonamide
CID 114809946
ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate
CID 114339457
ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate
CID 114339082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate?
The IUPAC name of ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate (CID 79535733) is ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate?
The canonical SMILES for ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCCCC1C1CCCC1O.
What is the InChIKey of ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate?
The InChIKey is XLWBSISFSNPUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5S/c1-2-20-14(17)10-21(18,19)15-9-4-3-7-12(15)11-6-5-8-13(11)16/h11-13,16H,2-10H2,1H3.
What are the key properties of ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate?
ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate has a molecular weight of 319.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate is sourced from PubChem (CID 79535733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).