8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H17NO4S — CID 735890

IUPAC8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO4S/c15-19(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)17-10-11-18-13/h1-5H,6-11H2
InChIKeyJJXIIJHMFYNAIP-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.21
Rot. Bonds2

About 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 735890) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID735890
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17NO4S/c15-19(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)17-10-11-18-13/h1-5H,6-11H2
InChIKeyJJXIIJHMFYNAIP-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Tosyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242101
8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(2,4-Dimethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467872
8-((4-Chlorophenyl)sulfonyl)-1,4-dioxa-8-azaspiro(4.5)decane
CID 2242102
N-Butyl-4-(1,4-dioxa-8-aza-spiro[4.5]decane-8-sulfonyl)-benzenesulfonamide
CID 3221375
8-(4-Propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3313428
8-(4-Butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5167940
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
8-((4-Bromophenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242104
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
CID 1433303
8-[4-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 1433312

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 735890) is 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is JJXIIJHMFYNAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-19(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)17-10-11-18-13/h1-5H,6-11H2.
What are the key properties of 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 283.35 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 735890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).