ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate

C13H23NO6S — CID 79118456

IUPACethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO6S/c1-3-18-12(15)10-21(16,17)14(2)11-4-6-13(7-5-11)19-8-9-20-13/h11H,3-10H2,1-2H3
InChIKeyRFPNVUDARRKYEA-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.50
Rot. Bonds5

About ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate

ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate (PubChem CID 79118456) has the molecular formula C13H23NO6S and a molecular weight of 321.40 g/mol. Its IUPAC name is ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate
PubChem CID79118456
Molecular FormulaC13H23NO6S
Molecular Weight321.40 g/mol
Exact Mass321.12
IUPAC Nameethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO6S/c1-3-18-12(15)10-21(16,17)14(2)11-4-6-13(7-5-11)19-8-9-20-13/h11H,3-10H2,1-2H3
InChIKeyRFPNVUDARRKYEA-UHFFFAOYSA-N
XLogP0.50
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate (CID 79118456) is ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate?
The InChIKey is RFPNVUDARRKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6S/c1-3-18-12(15)10-21(16,17)14(2)11-4-6-13(7-5-11)19-8-9-20-13/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate?
ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate has a molecular weight of 321.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate is sourced from PubChem (CID 79118456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).