3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C15H20N2O5S — CID 126527325

IUPAC3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccccc1)CO2
InChIInChI=1S/C15H20N2O5S/c18-14(19)17-8-6-15(7-9-17)10-12(11-22-15)16-23(20,21)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2,(H,18,19)
InChIKeyNTALSZMTGDSYAR-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.27
Rot. Bonds3

About 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 126527325) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID126527325
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccccc1)CO2
InChIInChI=1S/C15H20N2O5S/c18-14(19)17-8-6-15(7-9-17)10-12(11-22-15)16-23(20,21)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2,(H,18,19)
InChIKeyNTALSZMTGDSYAR-UHFFFAOYSA-N
XLogP1.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[benzenesulfonyl(ethyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126505839
3-[[(2R)-2-hydroxy-3-(3-methylsulfonylphenoxy)propyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 139486280
N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide
CID 97475709
1-[3-(tert-butylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 134073999
3-[[2-hydroxy-3-[3-[1-(hydroxymethyl)cyclopropyl]sulfonylphenoxy]propyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 139485594
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344
N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156778109
1-[4-(oxetan-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914288
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162332
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 126527325) is 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccccc1)CO2.
What is the InChIKey of 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is NTALSZMTGDSYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-14(19)17-8-6-15(7-9-17)10-12(11-22-15)16-23(20,21)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2,(H,18,19).
What are the key properties of 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 126527325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).