4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C11H20N2O5S — CID 175831556

IUPAC4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCCS(=O)(=O)NC1CCOC12CCN(C(=O)O)CC2
InChIInChI=1S/C11H20N2O5S/c1-2-19(16,17)12-9-3-8-18-11(9)4-6-13(7-5-11)10(14)15/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyWHLVXXFJOUAWFH-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.23
Rot. Bonds3

About 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 175831556) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID175831556
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCCS(=O)(=O)NC1CCOC12CCN(C(=O)O)CC2
InChIInChI=1S/C11H20N2O5S/c1-2-19(16,17)12-9-3-8-18-11(9)4-6-13(7-5-11)10(14)15/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyWHLVXXFJOUAWFH-UHFFFAOYSA-N
XLogP0.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
2-tert-butyl-3-(ethylsulfonylamino)pyrrolidine-1-carboxylic acid
CID 175489037
N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 64893796
N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
CID 47372558
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 90970306
N-methyl-4-oxaspiro[2.4]heptan-7-amine
CID 163853502
4-oxaspiro[2.4]heptan-7-ylhydrazine
CID 170121908
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
4-fluoro-4-(trifluoromethylsulfonyloxymethyl)piperidine-1-carboxylic acid
CID 170164780
N-[(1-methylsulfonylcyclohexyl)methyl]-1-oxaspiro[4.5]decan-4-amine
CID 167800893

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 175831556) is 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is CCS(=O)(=O)NC1CCOC12CCN(C(=O)O)CC2.
What is the InChIKey of 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is WHLVXXFJOUAWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-2-19(16,17)12-9-3-8-18-11(9)4-6-13(7-5-11)10(14)15/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 175831556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).