trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane

C20H35NO2SSi — CID 25198015

IUPACtrimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC2[Si](C)(C)C)c(C(C)C)c1
InChIInChI=1S/C20H35NO2SSi/c1-13(2)16-10-17(14(3)4)20(18(11-16)15(5)6)24(22,23)21-12-19(21)25(7,8)9/h10-11,13-15,19H,12H2,1-9H3
InChIKeyCYTBGXKDWGRURA-UHFFFAOYSA-N
MW381.66 g/mol
LogP5.31
Rot. Bonds6

About trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane

trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane (PubChem CID 25198015) has the molecular formula C20H35NO2SSi and a molecular weight of 381.66 g/mol. Its IUPAC name is trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane
PubChem CID25198015
Molecular FormulaC20H35NO2SSi
Molecular Weight381.66 g/mol
Exact Mass381.22
IUPAC Nametrimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC2[Si](C)(C)C)c(C(C)C)c1
InChIInChI=1S/C20H35NO2SSi/c1-13(2)16-10-17(14(3)4)20(18(11-16)15(5)6)24(22,23)21-12-19(21)25(7,8)9/h10-11,13-15,19H,12H2,1-9H3
InChIKeyCYTBGXKDWGRURA-UHFFFAOYSA-N
XLogP5.31
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane?
The IUPAC name of trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane (CID 25198015) is trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane.
What is the SMILES notation for trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane?
The canonical SMILES for trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane is CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC2[Si](C)(C)C)c(C(C)C)c1.
What is the InChIKey of trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane?
The InChIKey is CYTBGXKDWGRURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2SSi/c1-13(2)16-10-17(14(3)4)20(18(11-16)15(5)6)24(22,23)21-12-19(21)25(7,8)9/h10-11,13-15,19H,12H2,1-9H3.
What are the key properties of trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane?
trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane has a molecular weight of 381.66 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane is sourced from PubChem (CID 25198015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).