4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide

C19H27N3O5S — CID 47094628

IUPAC4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H27N3O5S/c1-21(2)28(25,26)16-9-7-15(8-10-16)27-14-13-22-17(23)19(20-18(22)24)11-5-3-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3,(H,20,24)
InChIKeyMXTWJAJPVVEUFV-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.96
Rot. Bonds6

About 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 47094628) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID47094628
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H27N3O5S/c1-21(2)28(25,26)16-9-7-15(8-10-16)27-14-13-22-17(23)19(20-18(22)24)11-5-3-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3,(H,20,24)
InChIKeyMXTWJAJPVVEUFV-UHFFFAOYSA-N
XLogP1.96
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 30804847
4-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24556959
3-[3-(4-aminophenoxy)propyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94755473
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9460374
3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755507
3-[2-(4-bromophenoxy)ethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2421484
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 24524058
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide (CID 47094628) is 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MXTWJAJPVVEUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-21(2)28(25,26)16-9-7-15(8-10-16)27-14-13-22-17(23)19(20-18(22)24)11-5-3-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3,(H,20,24).
What are the key properties of 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 47094628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).