2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione

C11H23NSSi — CID 46217570

IUPAC2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione
SMILESCC(C)(C)C(=S)N1CCC1[Si](C)(C)C
InChIInChI=1S/C11H23NSSi/c1-11(2,3)10(13)12-8-7-9(12)14(4,5)6/h9H,7-8H2,1-6H3
InChIKeyXGEYNVZSCIMQLG-UHFFFAOYSA-N
MW229.46 g/mol
LogP3.31
Rot. Bonds1

About 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione

2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione (PubChem CID 46217570) has the molecular formula C11H23NSSi and a molecular weight of 229.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione
PubChem CID46217570
Molecular FormulaC11H23NSSi
Molecular Weight229.46 g/mol
Exact Mass229.13
IUPAC Name2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione
SMILESCC(C)(C)C(=S)N1CCC1[Si](C)(C)C
InChIInChI=1S/C11H23NSSi/c1-11(2,3)10(13)12-8-7-9(12)14(4,5)6/h9H,7-8H2,1-6H3
InChIKeyXGEYNVZSCIMQLG-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione?
The IUPAC name of 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione (CID 46217570) is 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione.
What is the SMILES notation for 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione?
The canonical SMILES for 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione is CC(C)(C)C(=S)N1CCC1[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione?
The InChIKey is XGEYNVZSCIMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NSSi/c1-11(2,3)10(13)12-8-7-9(12)14(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione?
2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione has a molecular weight of 229.46 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-trimethylsilylazetidin-1-yl)propane-1-thione is sourced from PubChem (CID 46217570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).