(3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one

C17H27NO2SSi — CID 139795168

IUPAC(3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)C1S(=O)c1ccccc1
InChIInChI=1S/C17H27NO2SSi/c1-7-14-15(19)18(22(5,6)17(2,3)4)16(14)21(20)13-11-9-8-10-12-13/h8-12,14,16H,7H2,1-6H3/t14-,16?,21?/m1/s1
InChIKeySDYMAPWFPAAPON-HXJYWVFZSA-N
MW337.56 g/mol
LogP3.99
Rot. Bonds4

About (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one

(3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one (PubChem CID 139795168) has the molecular formula C17H27NO2SSi and a molecular weight of 337.56 g/mol. Its IUPAC name is (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one.

Molecular Properties

Compound Name(3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one
PubChem CID139795168
Molecular FormulaC17H27NO2SSi
Molecular Weight337.56 g/mol
Exact Mass337.15
IUPAC Name(3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)C1S(=O)c1ccccc1
InChIInChI=1S/C17H27NO2SSi/c1-7-14-15(19)18(22(5,6)17(2,3)4)16(14)21(20)13-11-9-8-10-12-13/h8-12,14,16H,7H2,1-6H3/t14-,16?,21?/m1/s1
InChIKeySDYMAPWFPAAPON-HXJYWVFZSA-N
XLogP3.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 53.99
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 (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one?
The IUPAC name of (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one (CID 139795168) is (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one.
What is the SMILES notation for (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one?
The canonical SMILES for (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one is CC[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)C1S(=O)c1ccccc1.
What is the InChIKey of (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one?
The InChIKey is SDYMAPWFPAAPON-HXJYWVFZSA-N. The full InChI is InChI=1S/C17H27NO2SSi/c1-7-14-15(19)18(22(5,6)17(2,3)4)16(14)21(20)13-11-9-8-10-12-13/h8-12,14,16H,7H2,1-6H3/t14-,16?,21?/m1/s1.
What are the key properties of (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one?
(3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one has a molecular weight of 337.56 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(benzenesulfinyl)-1-[tert-butyl(dimethyl)silyl]-3-ethylazetidin-2-one is sourced from PubChem (CID 139795168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).