(3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one

C17H27NO2SSi — CID 173292120

IUPAC(3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one
SMILESC[SiH](C)O[C@](C)([C@H]1C(=O)N[C@@H]1Sc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27NO2SSi/c1-16(2,3)17(4,20-22(5)6)13-14(19)18-15(13)21-12-10-8-7-9-11-12/h7-11,13,15,22H,1-6H3,(H,18,19)/t13-,15+,17+/m0/s1
InChIKeySHEBKUGVEUIHGL-YSVLISHTSA-N
MW337.56 g/mol
LogP3.66
Rot. Bonds5

About (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one

(3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one (PubChem CID 173292120) has the molecular formula C17H27NO2SSi and a molecular weight of 337.56 g/mol. Its IUPAC name is (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one
PubChem CID173292120
Molecular FormulaC17H27NO2SSi
Molecular Weight337.56 g/mol
Exact Mass337.15
IUPAC Name(3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one
SMILESC[SiH](C)O[C@](C)([C@H]1C(=O)N[C@@H]1Sc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27NO2SSi/c1-16(2,3)17(4,20-22(5)6)13-14(19)18-15(13)21-12-10-8-7-9-11-12/h7-11,13,15,22H,1-6H3,(H,18,19)/t13-,15+,17+/m0/s1
InChIKeySHEBKUGVEUIHGL-YSVLISHTSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one?
The IUPAC name of (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one (CID 173292120) is (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one is C[SiH](C)O[C@](C)([C@H]1C(=O)N[C@@H]1Sc1ccccc1)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one?
The InChIKey is SHEBKUGVEUIHGL-YSVLISHTSA-N. The full InChI is InChI=1S/C17H27NO2SSi/c1-16(2,3)17(4,20-22(5)6)13-14(19)18-15(13)21-12-10-8-7-9-11-12/h7-11,13,15,22H,1-6H3,(H,18,19)/t13-,15+,17+/m0/s1.
What are the key properties of (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one?
(3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one has a molecular weight of 337.56 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 173292120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).