3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole

C11H23FN4OSSi — CID 150254558

IUPAC3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole
SMILESCCn1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C11H23FN4OSSi/c1-7-16-8-9(12)10(14-16)18(13,17)15-19(5,6)11(2,3)4/h8H,7H2,1-6H3,(H2,13,15,17)
InChIKeyGAHBQZRWJPZEIX-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.75
Rot. Bonds3

About 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole

3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole (PubChem CID 150254558) has the molecular formula C11H23FN4OSSi and a molecular weight of 306.48 g/mol. Its IUPAC name is 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole.

Molecular Properties

Compound Name3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole
PubChem CID150254558
Molecular FormulaC11H23FN4OSSi
Molecular Weight306.48 g/mol
Exact Mass306.13
IUPAC Name3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole
SMILESCCn1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C11H23FN4OSSi/c1-7-16-8-9(12)10(14-16)18(13,17)15-19(5,6)11(2,3)4/h8H,7H2,1-6H3,(H2,13,15,17)
InChIKeyGAHBQZRWJPZEIX-UHFFFAOYSA-N
XLogP2.75
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole?
The IUPAC name of 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole (CID 150254558) is 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole.
What is the SMILES notation for 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole?
The canonical SMILES for 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole is CCn1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole?
The InChIKey is GAHBQZRWJPZEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN4OSSi/c1-7-16-8-9(12)10(14-16)18(13,17)15-19(5,6)11(2,3)4/h8H,7H2,1-6H3,(H2,13,15,17).
What are the key properties of 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole?
3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole has a molecular weight of 306.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole is sourced from PubChem (CID 150254558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).