[3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C21H33NO3S2Si — CID 3928935

IUPAC[3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(S(=O)(=O)c2ccccc2)C(N2CCSCC2)C1
InChIInChI=1S/C21H33NO3S2Si/c1-21(2,3)28(4,5)25-17-15-19(22-11-13-26-14-12-22)20(16-17)27(23,24)18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3
InChIKeyLASSVCRNDNKMAL-UHFFFAOYSA-N
MW439.72 g/mol
LogP4.56
Rot. Bonds5

About [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 3928935) has the molecular formula C21H33NO3S2Si and a molecular weight of 439.72 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID3928935
Molecular FormulaC21H33NO3S2Si
Molecular Weight439.72 g/mol
Exact Mass439.17
IUPAC Name[3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(S(=O)(=O)c2ccccc2)C(N2CCSCC2)C1
InChIInChI=1S/C21H33NO3S2Si/c1-21(2,3)28(4,5)25-17-15-19(22-11-13-26-14-12-22)20(16-17)27(23,24)18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3
InChIKeyLASSVCRNDNKMAL-UHFFFAOYSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.72
LogP ≤ 54.56
H-Bond Donors ≤ 50
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 [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 3928935) is [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C=C(S(=O)(=O)c2ccccc2)C(N2CCSCC2)C1.
What is the InChIKey of [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LASSVCRNDNKMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3S2Si/c1-21(2,3)28(4,5)25-17-15-19(22-11-13-26-14-12-22)20(16-17)27(23,24)18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3.
What are the key properties of [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 439.72 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 3928935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).