ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate

C11H19NO6S — CID 78931811

IUPACethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO6S/c1-2-16-10(13)9-19(14,15)12-5-3-11(4-6-12)17-7-8-18-11/h2-9H2,1H3
InChIKeyTYTOTHSBLAKLRA-UHFFFAOYSA-N
MW293.34 g/mol
LogP-0.28
Rot. Bonds4

About ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate

ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate (PubChem CID 78931811) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
PubChem CID78931811
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Nameethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO6S/c1-2-16-10(13)9-19(14,15)12-5-3-11(4-6-12)17-7-8-18-11/h2-9H2,1H3
InChIKeyTYTOTHSBLAKLRA-UHFFFAOYSA-N
XLogP-0.28
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate
CID 79118456
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320
ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298
ethyl 2-[4-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]sulfonylacetate
CID 63341432
ethyl 2-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]acetate
CID 55135460
ethyl 2-[4-(1-cyanoethyl)piperazin-1-yl]sulfonylacetate
CID 55202346
methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate
CID 78931824

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate?
The IUPAC name of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate (CID 78931811) is ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate.
What is the SMILES notation for ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate?
The canonical SMILES for ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate is CCOC(=O)CS(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate?
The InChIKey is TYTOTHSBLAKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-2-16-10(13)9-19(14,15)12-5-3-11(4-6-12)17-7-8-18-11/h2-9H2,1H3.
What are the key properties of ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate?
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate has a molecular weight of 293.34 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate is sourced from PubChem (CID 78931811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).