ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate

C14H26N2O4S — CID 61457574

IUPACethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-2-20-13(17)11-21(18,19)16-12-6-9-15-14(10-12)7-4-3-5-8-14/h12,15-16H,2-11H2,1H3
InChIKeyXROIPLINWZZXEQ-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.92
Rot. Bonds5

About ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate

ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate (PubChem CID 61457574) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
PubChem CID61457574
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Nameethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-2-20-13(17)11-21(18,19)16-12-6-9-15-14(10-12)7-4-3-5-8-14/h12,15-16H,2-11H2,1H3
InChIKeyXROIPLINWZZXEQ-UHFFFAOYSA-N
XLogP0.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate (CID 61457574) is ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
The InChIKey is XROIPLINWZZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-2-20-13(17)11-21(18,19)16-12-6-9-15-14(10-12)7-4-3-5-8-14/h12,15-16H,2-11H2,1H3.
What are the key properties of ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate has a molecular weight of 318.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate is sourced from PubChem (CID 61457574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).