1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one

C14H23N3OSSi — CID 57105900

IUPAC1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CSc1ncccn1
InChIInChI=1S/C14H23N3OSSi/c1-14(2,3)20(4,5)17-11(9-12(17)18)10-19-13-15-7-6-8-16-13/h6-8,11H,9-10H2,1-5H3
InChIKeyOVICALNMBCYULA-UHFFFAOYSA-N
MW309.51 g/mol
LogP3.17
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one

1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one (PubChem CID 57105900) has the molecular formula C14H23N3OSSi and a molecular weight of 309.51 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one
PubChem CID57105900
Molecular FormulaC14H23N3OSSi
Molecular Weight309.51 g/mol
Exact Mass309.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CSc1ncccn1
InChIInChI=1S/C14H23N3OSSi/c1-14(2,3)20(4,5)17-11(9-12(17)18)10-19-13-15-7-6-8-16-13/h6-8,11H,9-10H2,1-5H3
InChIKeyOVICALNMBCYULA-UHFFFAOYSA-N
XLogP3.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one (CID 57105900) is 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one is CC(C)(C)[Si](C)(C)N1C(=O)CC1CSc1ncccn1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one?
The InChIKey is OVICALNMBCYULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OSSi/c1-14(2,3)20(4,5)17-11(9-12(17)18)10-19-13-15-7-6-8-16-13/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one has a molecular weight of 309.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one is sourced from PubChem (CID 57105900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).