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

C32H52N6O8S2Si — CID 158989796

IUPAC2-[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
SMILESCN(C)S(=O)(=O)n1cc(C2=CCC3(CC2)OCCO3)nc1[Si](C)(C)C(C)(C)C.CN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1
InChIInChI=1S/C19H33N3O4SSi.C13H19N3O4S/c1-18(2,3)28(6,7)17-20-16(14-22(17)27(23,24)21(4)5)15-8-10-19(11-9-15)25-12-13-26-19;1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13/h8,14H,9-13H2,1-7H3;3,9-10H,4-8H2,1-2H3
InChIKeyJQABKEBHMGUFHZ-UHFFFAOYSA-N
MW741.02 g/mol
LogP3.41
Rot. Bonds7

About 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

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 (PubChem CID 158989796) has the molecular formula C32H52N6O8S2Si and a molecular weight of 741.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158989796
Molecular FormulaC32H52N6O8S2Si
Molecular Weight741.02 g/mol
Exact Mass740.31
IUPAC Name2-[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
SMILESCN(C)S(=O)(=O)n1cc(C2=CCC3(CC2)OCCO3)nc1[Si](C)(C)C(C)(C)C.CN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1
InChIInChI=1S/C19H33N3O4SSi.C13H19N3O4S/c1-18(2,3)28(6,7)17-20-16(14-22(17)27(23,24)21(4)5)15-8-10-19(11-9-15)25-12-13-26-19;1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13/h8,14H,9-13H2,1-7H3;3,9-10H,4-8H2,1-2H3
InChIKeyJQABKEBHMGUFHZ-UHFFFAOYSA-N
XLogP3.41
TPSA147.32 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.02
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)S(=O)(=O)n1cc(C2=CCC3(CC2)OCCO3)nc1[Si](C)(C)C(C)(C)C.CN(C)S(=O)(=O)n1cnc(C2=CCC3(CC2)OCCO3)c1.
What is the InChIKey of 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?
The InChIKey is JQABKEBHMGUFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4SSi.C13H19N3O4S/c1-18(2,3)28(6,7)17-20-16(14-22(17)27(23,24)21(4)5)15-8-10-19(11-9-15)25-12-13-26-19;1-15(2)21(17,18)16-9-12(14-10-16)11-3-5-13(6-4-11)19-7-8-20-13/h8,14H,9-13H2,1-7H3;3,9-10H,4-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 741.02 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158989796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).