tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane

C24H32N2O4SSi — CID 177256886

IUPACtert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane
SMILESCC(C)(C)[Si](C)(C)/C(=C/c1ccccc1)C1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H32N2O4SSi/c1-24(2,3)32(4,5)23(18-19-10-7-6-8-11-19)22-12-9-17-25(22)31(29,30)21-15-13-20(14-16-21)26(27)28/h6-8,10-11,13-16,18,22H,9,12,17H2,1-5H3/b23-18+
InChIKeyFUSZXLNCKFNBNT-PTGBLXJZSA-N
MW472.68 g/mol
LogP5.88
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane

tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane (PubChem CID 177256886) has the molecular formula C24H32N2O4SSi and a molecular weight of 472.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane
PubChem CID177256886
Molecular FormulaC24H32N2O4SSi
Molecular Weight472.68 g/mol
Exact Mass472.19
IUPAC Nametert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane
SMILESCC(C)(C)[Si](C)(C)/C(=C/c1ccccc1)C1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H32N2O4SSi/c1-24(2,3)32(4,5)23(18-19-10-7-6-8-11-19)22-12-9-17-25(22)31(29,30)21-15-13-20(14-16-21)26(27)28/h6-8,10-11,13-16,18,22H,9,12,17H2,1-5H3/b23-18+
InChIKeyFUSZXLNCKFNBNT-PTGBLXJZSA-N
XLogP5.88
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane (CID 177256886) is tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane is CC(C)(C)[Si](C)(C)/C(=C/c1ccccc1)C1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane?
The InChIKey is FUSZXLNCKFNBNT-PTGBLXJZSA-N. The full InChI is InChI=1S/C24H32N2O4SSi/c1-24(2,3)32(4,5)23(18-19-10-7-6-8-11-19)22-12-9-17-25(22)31(29,30)21-15-13-20(14-16-21)26(27)28/h6-8,10-11,13-16,18,22H,9,12,17H2,1-5H3/b23-18+.
What are the key properties of tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane?
tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane has a molecular weight of 472.68 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-1-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-2-phenylethenyl]silane is sourced from PubChem (CID 177256886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).