4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide

C13H18N2O4S — CID 22969339

IUPAC4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CC3(C2)OCCO3)cc1
InChIInChI=1S/C13H18N2O4S/c1-14(2)20(16,17)12-5-3-11(4-6-12)15-9-13(10-15)18-7-8-19-13/h3-6H,7-10H2,1-2H3
InChIKeyPYWHFVKNGZERME-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.50
Rot. Bonds3

About 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide

4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 22969339) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID22969339
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CC3(C2)OCCO3)cc1
InChIInChI=1S/C13H18N2O4S/c1-14(2)20(16,17)12-5-3-11(4-6-12)15-9-13(10-15)18-7-8-19-13/h3-6H,7-10H2,1-2H3
InChIKeyPYWHFVKNGZERME-UHFFFAOYSA-N
XLogP0.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-(morpholin-4-ylamino)benzenesulfonamide
CID 83025680
N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
CID 60807414
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 94450668
N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
CID 71081142
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
4-(4-bromo-3-methylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 114682728
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
4-[3-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80672154
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
CID 90391328
CID 90391328
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide
CID 102683870
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N,N-dimethylbenzenesulfonamide
CID 102683477

Frequently Asked Questions

What is the IUPAC name of 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide (CID 22969339) is 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CC3(C2)OCCO3)cc1.
What is the InChIKey of 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is PYWHFVKNGZERME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-14(2)20(16,17)12-5-3-11(4-6-12)15-9-13(10-15)18-7-8-19-13/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide?
4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 22969339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).