2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol

C15H32N4O2SSi — CID 150348079

IUPAC2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc1C(C)(C)O
InChIInChI=1S/C15H32N4O2SSi/c1-11(2)19-12(15(6,7)20)10-13(17-19)22(16,21)18-23(8,9)14(3,4)5/h10-11,20H,1-9H3,(H2,16,18,21)
InChIKeyGTDKZVXFKZWBFE-UHFFFAOYSA-N
MW360.60 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol

2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol (PubChem CID 150348079) has the molecular formula C15H32N4O2SSi and a molecular weight of 360.60 g/mol. Its IUPAC name is 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
PubChem CID150348079
Molecular FormulaC15H32N4O2SSi
Molecular Weight360.60 g/mol
Exact Mass360.20
IUPAC Name2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc1C(C)(C)O
InChIInChI=1S/C15H32N4O2SSi/c1-11(2)19-12(15(6,7)20)10-13(17-19)22(16,21)18-23(8,9)14(3,4)5/h10-11,20H,1-9H3,(H2,16,18,21)
InChIKeyGTDKZVXFKZWBFE-UHFFFAOYSA-N
XLogP3.40
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.60
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol (CID 150348079) is 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol is CC(C)n1nc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc1C(C)(C)O.
What is the InChIKey of 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The InChIKey is GTDKZVXFKZWBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2SSi/c1-11(2)19-12(15(6,7)20)10-13(17-19)22(16,21)18-23(8,9)14(3,4)5/h10-11,20H,1-9H3,(H2,16,18,21).
What are the key properties of 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol has a molecular weight of 360.60 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 150348079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).