ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate

C10H19NO5S — CID 114501652

IUPACethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C10H19NO5S/c1-3-16-10(13)7-17(14,15)11-5-4-9(12)8(2)6-11/h8-9,12H,3-7H2,1-2H3
InChIKeyQGHZQVBATCQDRW-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.42
Rot. Bonds4

About ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate

ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate (PubChem CID 114501652) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate
PubChem CID114501652
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Nameethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C10H19NO5S/c1-3-16-10(13)7-17(14,15)11-5-4-9(12)8(2)6-11/h8-9,12H,3-7H2,1-2H3
InChIKeyQGHZQVBATCQDRW-UHFFFAOYSA-N
XLogP-0.42
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320
ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
CID 114501631
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
1-[(3-aminophenyl)methylsulfonyl]-3-methylpiperidin-4-ol
CID 114677570
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422077
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374
ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
CID 79535733

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate?
The IUPAC name of ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate (CID 114501652) is ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate?
The canonical SMILES for ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCC(O)C(C)C1.
What is the InChIKey of ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate?
The InChIKey is QGHZQVBATCQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-3-16-10(13)7-17(14,15)11-5-4-9(12)8(2)6-11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate?
ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate has a molecular weight of 265.33 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate is sourced from PubChem (CID 114501652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).