1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one

C17H27NOSSi — CID 13281901

IUPAC1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one
SMILESCCC1C(=O)N([Si](C)(C)C(C)(C)C)C1Sc1ccccc1
InChIInChI=1S/C17H27NOSSi/c1-7-14-15(19)18(21(5,6)17(2,3)4)16(14)20-13-11-9-8-10-12-13/h8-12,14,16H,7H2,1-6H3
InChIKeyOMZQIDCYQGPIOQ-UHFFFAOYSA-N
MW321.56 g/mol
LogP4.98
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one

1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one (PubChem CID 13281901) has the molecular formula C17H27NOSSi and a molecular weight of 321.56 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one
PubChem CID13281901
Molecular FormulaC17H27NOSSi
Molecular Weight321.56 g/mol
Exact Mass321.16
IUPAC Name1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one
SMILESCCC1C(=O)N([Si](C)(C)C(C)(C)C)C1Sc1ccccc1
InChIInChI=1S/C17H27NOSSi/c1-7-14-15(19)18(21(5,6)17(2,3)4)16(14)20-13-11-9-8-10-12-13/h8-12,14,16H,7H2,1-6H3
InChIKeyOMZQIDCYQGPIOQ-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one (CID 13281901) is 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one is CCC1C(=O)N([Si](C)(C)C(C)(C)C)C1Sc1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one?
The InChIKey is OMZQIDCYQGPIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOSSi/c1-7-14-15(19)18(21(5,6)17(2,3)4)16(14)20-13-11-9-8-10-12-13/h8-12,14,16H,7H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one has a molecular weight of 321.56 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 13281901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).