2-[tert-butyl(dimethyl)silyl]-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide

C19H33N3O4SSi — CID 11154568

IUPAC2-[tert-butyl(dimethyl)silyl]-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
InChIInChI=1S/C19H33N3O4SSi/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/h8,14H,9-13H2,1-7H3
InChIKeyMTBNAVFOGITWSC-UHFFFAOYSA-N
MW427.64 g/mol
LogP2.56
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]-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 (PubChem CID 11154568) has the molecular formula C19H33N3O4SSi and a molecular weight of 427.64 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.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide
PubChem CID11154568
Molecular FormulaC19H33N3O4SSi
Molecular Weight427.64 g/mol
Exact Mass427.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]-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
InChIInChI=1S/C19H33N3O4SSi/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/h8,14H,9-13H2,1-7H3
InChIKeyMTBNAVFOGITWSC-UHFFFAOYSA-N
XLogP2.56
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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?
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 (CID 11154568) is 2-[tert-butyl(dimethyl)silyl]-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?
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 is CN(C)S(=O)(=O)n1cc(C2=CCC3(CC2)OCCO3)nc1[Si](C)(C)C(C)(C)C.
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?
The InChIKey is MTBNAVFOGITWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4SSi/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/h8,14H,9-13H2,1-7H3.
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?
2-[tert-butyl(dimethyl)silyl]-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 427.64 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 11154568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).