2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane

C15H25NO2SSi — CID 135008008

IUPAC2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane
SMILESCC1(C)C2CCC13CS(=O)(=O)N(C#C[Si](C)(C)C)C3C2
InChIInChI=1S/C15H25NO2SSi/c1-14(2)12-6-7-15(14)11-19(17,18)16(13(15)10-12)8-9-20(3,4)5/h12-13H,6-7,10-11H2,1-5H3
InChIKeyFFIIOCAZPVKDHY-UHFFFAOYSA-N
MW311.52 g/mol
LogP2.66
Rot. Bonds

About 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane

2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane (PubChem CID 135008008) has the molecular formula C15H25NO2SSi and a molecular weight of 311.52 g/mol. Its IUPAC name is 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane
PubChem CID135008008
Molecular FormulaC15H25NO2SSi
Molecular Weight311.52 g/mol
Exact Mass311.14
IUPAC Name2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane
SMILESCC1(C)C2CCC13CS(=O)(=O)N(C#C[Si](C)(C)C)C3C2
InChIInChI=1S/C15H25NO2SSi/c1-14(2)12-6-7-15(14)11-19(17,18)16(13(15)10-12)8-9-20(3,4)5/h12-13H,6-7,10-11H2,1-5H3
InChIKeyFFIIOCAZPVKDHY-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane (CID 135008008) is 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane is CC1(C)C2CCC13CS(=O)(=O)N(C#C[Si](C)(C)C)C3C2.
What is the InChIKey of 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane?
The InChIKey is FFIIOCAZPVKDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2SSi/c1-14(2)12-6-7-15(14)11-19(17,18)16(13(15)10-12)8-9-20(3,4)5/h12-13H,6-7,10-11H2,1-5H3.
What are the key properties of 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane?
2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane has a molecular weight of 311.52 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 135008008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).