4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide

C13H18N2O6S2 — CID 71364073

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C13H18N2O6S2/c14-22(16,17)11-1-3-12(4-2-11)23(18,19)15-7-5-13(6-8-15)20-9-10-21-13/h1-4H,5-10H2,(H2,14,16,17)
InChIKeyVVOIWTSIZYHAFU-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.14
Rot. Bonds3

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide (PubChem CID 71364073) has the molecular formula C13H18N2O6S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
PubChem CID71364073
Molecular FormulaC13H18N2O6S2
Molecular Weight362.43 g/mol
Exact Mass362.06
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C13H18N2O6S2/c14-22(16,17)11-1-3-12(4-2-11)23(18,19)15-7-5-13(6-8-15)20-9-10-21-13/h1-4H,5-10H2,(H2,14,16,17)
InChIKeyVVOIWTSIZYHAFU-UHFFFAOYSA-N
XLogP-0.14
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
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
4-(1,4-Dioxa-8-aza-spiro[4.5]decane-8-sulfonyl)-N-isobutyl-benzenesulfonamide
CID 12004741
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
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 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide (CID 71364073) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
The InChIKey is VVOIWTSIZYHAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S2/c14-22(16,17)11-1-3-12(4-2-11)23(18,19)15-7-5-13(6-8-15)20-9-10-21-13/h1-4H,5-10H2,(H2,14,16,17).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 71364073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).