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

C13H19N3O4S — CID 59900683

IUPAC4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1
InChIInChI=1S/C13H19N3O4S/c1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13/h3,9-10H,4-8H2,1-2H3
InChIKeyHSEKJQRRANXKHU-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.85
Rot. Bonds3

About 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 (PubChem CID 59900683) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
PubChem CID59900683
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1
InChIInChI=1S/C13H19N3O4S/c1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13/h3,9-10H,4-8H2,1-2H3
InChIKeyHSEKJQRRANXKHU-UHFFFAOYSA-N
XLogP0.85
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide (CID 59900683) is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide is 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?
The InChIKey is HSEKJQRRANXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13/h3,9-10H,4-8H2,1-2H3.
What are the key properties of 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 has a molecular weight of 313.38 g/mol, XLogP of 0.85, 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 is sourced from PubChem (CID 59900683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).