4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane

C15H25N3O4S — CID 142006549

IUPAC4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane
SMILESCC.CN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1
InChIInChI=1S/C13H19N3O4S.C2H6/c1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13;1-2/h3,9-10H,4-8H2,1-2H3;1-2H3
InChIKeyWAEHYDXLOBZDPK-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.87
Rot. Bonds3

About 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane

4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane (PubChem CID 142006549) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane
PubChem CID142006549
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane
SMILESCC.CN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1
InChIInChI=1S/C13H19N3O4S.C2H6/c1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13;1-2/h3,9-10H,4-8H2,1-2H3;1-2H3
InChIKeyWAEHYDXLOBZDPK-UHFFFAOYSA-N
XLogP1.87
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane with MolForge

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Related Compounds

[5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)imidazol-1-yl] thiohypofluorite
CID 141856644
2-[tert-butyl(dimethyl)silyl]-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 11154568
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 59900683
4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 59900697
5-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethyl-1H-imidazole-1-sulfonamide
CID 71144535
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-imidazole
CID 85711895
N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide;4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 157906386
2-[tert-butyl(dimethyl)silyl]-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 158989796

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane (CID 142006549) is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane is CC.CN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane?
The InChIKey is WAEHYDXLOBZDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S.C2H6/c1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13;1-2/h3,9-10H,4-8H2,1-2H3;1-2H3.
What are the key properties of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane?
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane has a molecular weight of 343.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide;ethane is sourced from PubChem (CID 142006549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).