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

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107972294
N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 95107857
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylimidazole-4-sulfonamide
CID 110126047
N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
CID 63766956
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918120
1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide
CID 79120070
N-(3-aminopropyl)-N-cyclopentyl-1-methylimidazole-4-sulfonamide
CID 62374937
1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 62373282
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126921738
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 62374778
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbutane-1-sulfonamide
CID 79119564
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918876

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).