[(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane

C24H41NO3SSi — CID 11442347

IUPAC[(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCCN2CCC[C@@H](S(=O)(=O)c3ccccc3)[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C24H41NO3SSi/c1-18(2)30(19(3)4,20(5)6)28-22-14-10-16-25-17-11-15-23(24(22)25)29(26,27)21-12-8-7-9-13-21/h7-9,12-13,18-20,22-24H,10-11,14-17H2,1-6H3/t22-,23-,24-/m1/s1
InChIKeyRISCOHJGDKXJFF-WXFUMESZSA-N
MW451.75 g/mol
LogP5.65
Rot. Bonds7

About [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane

[(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11442347) has the molecular formula C24H41NO3SSi and a molecular weight of 451.75 g/mol. Its IUPAC name is [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID11442347
Molecular FormulaC24H41NO3SSi
Molecular Weight451.75 g/mol
Exact Mass451.26
IUPAC Name[(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCCN2CCC[C@@H](S(=O)(=O)c3ccccc3)[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C24H41NO3SSi/c1-18(2)30(19(3)4,20(5)6)28-22-14-10-16-25-17-11-15-23(24(22)25)29(26,27)21-12-8-7-9-13-21/h7-9,12-13,18-20,22-24H,10-11,14-17H2,1-6H3/t22-,23-,24-/m1/s1
InChIKeyRISCOHJGDKXJFF-WXFUMESZSA-N
XLogP5.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.75
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane (CID 11442347) is [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1CCCN2CCC[C@@H](S(=O)(=O)c3ccccc3)[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is RISCOHJGDKXJFF-WXFUMESZSA-N. The full InChI is InChI=1S/C24H41NO3SSi/c1-18(2)30(19(3)4,20(5)6)28-22-14-10-16-25-17-11-15-23(24(22)25)29(26,27)21-12-8-7-9-13-21/h7-9,12-13,18-20,22-24H,10-11,14-17H2,1-6H3/t22-,23-,24-/m1/s1.
What are the key properties of [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane?
[(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 451.75 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).