2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol

C13H25FN2O2S2Si — CID 150909478

IUPAC2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C13H25FN2O2S2Si/c1-12(2,3)21(6,7)16-20(15,18)11-9(14)8-10(19-11)13(4,5)17/h8,17H,1-7H3,(H2,15,16,18)
InChIKeyLBROWUVNKUTBIZ-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.82
Rot. Bonds3

About 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol

2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol (PubChem CID 150909478) has the molecular formula C13H25FN2O2S2Si and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol
PubChem CID150909478
Molecular FormulaC13H25FN2O2S2Si
Molecular Weight352.57 g/mol
Exact Mass352.11
IUPAC Name2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C13H25FN2O2S2Si/c1-12(2,3)21(6,7)16-20(15,18)11-9(14)8-10(19-11)13(4,5)17/h8,17H,1-7H3,(H2,15,16,18)
InChIKeyLBROWUVNKUTBIZ-UHFFFAOYSA-N
XLogP3.82
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.82
H-Bond Donors ≤ 52
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 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol (CID 150909478) is 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol is CC(C)(O)c1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1.
What is the InChIKey of 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol?
The InChIKey is LBROWUVNKUTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2S2Si/c1-12(2,3)21(6,7)16-20(15,18)11-9(14)8-10(19-11)13(4,5)17/h8,17H,1-7H3,(H2,15,16,18).
What are the key properties of 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol?
2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol has a molecular weight of 352.57 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]propan-2-ol is sourced from PubChem (CID 150909478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).