tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane

C12H22N2O3SSi — CID 22964757

IUPACtert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCS(=O)(=O)c1ncccn1
InChIInChI=1S/C12H22N2O3SSi/c1-12(2,3)19(4,5)17-9-10-18(15,16)11-13-7-6-8-14-11/h6-8H,9-10H2,1-5H3
InChIKeyVJEUILZVGOVRDK-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane

tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane (PubChem CID 22964757) has the molecular formula C12H22N2O3SSi and a molecular weight of 302.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane
PubChem CID22964757
Molecular FormulaC12H22N2O3SSi
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Nametert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCS(=O)(=O)c1ncccn1
InChIInChI=1S/C12H22N2O3SSi/c1-12(2,3)19(4,5)17-9-10-18(15,16)11-13-7-6-8-14-11/h6-8H,9-10H2,1-5H3
InChIKeyVJEUILZVGOVRDK-UHFFFAOYSA-N
XLogP2.27
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.27
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 tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane (CID 22964757) is tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane is CC(C)(C)[Si](C)(C)OCCS(=O)(=O)c1ncccn1.
What is the InChIKey of tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane?
The InChIKey is VJEUILZVGOVRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3SSi/c1-12(2,3)19(4,5)17-9-10-18(15,16)11-13-7-6-8-14-11/h6-8H,9-10H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane?
tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane has a molecular weight of 302.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane is sourced from PubChem (CID 22964757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).