N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide

C13H21N3O4S — CID 79118452

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CCC2(CC1)OCCO2)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H21N3O4S/c1-15-9-12(14-10-15)21(17,18)16(2)11-3-5-13(6-4-11)19-7-8-20-13/h9-11H,3-8H2,1-2H3
InChIKeyWLYZJUSVSZTDIR-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.73
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 79118452) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide
PubChem CID79118452
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CCC2(CC1)OCCO2)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H21N3O4S/c1-15-9-12(14-10-15)21(17,18)16(2)11-3-5-13(6-4-11)19-7-8-20-13/h9-11H,3-8H2,1-2H3
InChIKeyWLYZJUSVSZTDIR-UHFFFAOYSA-N
XLogP0.73
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide (CID 79118452) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide is CN(C1CCC2(CC1)OCCO2)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is WLYZJUSVSZTDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15-9-12(14-10-15)21(17,18)16(2)11-3-5-13(6-4-11)19-7-8-20-13/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 79118452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).