(3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

C17H24ClNO2SSi — CID 22867594

IUPAC(3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=S)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2SSi/c1-10(16(22)12-6-8-13(18)9-7-12)15-14(17(20)19-15)11(2)21-23(3,4)5/h6-11,14-15H,1-5H3,(H,19,20)/t10-,11-,14-,15-/m1/s1
InChIKeyHISNXJKQQWEHQL-YIKOMLBNSA-N
MW369.99 g/mol
LogP4.05
Rot. Bonds6

About (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

(3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (PubChem CID 22867594) has the molecular formula C17H24ClNO2SSi and a molecular weight of 369.99 g/mol. Its IUPAC name is (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
PubChem CID22867594
Molecular FormulaC17H24ClNO2SSi
Molecular Weight369.99 g/mol
Exact Mass369.10
IUPAC Name(3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=S)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2SSi/c1-10(16(22)12-6-8-13(18)9-7-12)15-14(17(20)19-15)11(2)21-23(3,4)5/h6-11,14-15H,1-5H3,(H,19,20)/t10-,11-,14-,15-/m1/s1
InChIKeyHISNXJKQQWEHQL-YIKOMLBNSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.99
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'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 (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (CID 22867594) is (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=S)c1ccc(Cl)cc1.
What is the InChIKey of (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The InChIKey is HISNXJKQQWEHQL-YIKOMLBNSA-N. The full InChI is InChI=1S/C17H24ClNO2SSi/c1-10(16(22)12-6-8-13(18)9-7-12)15-14(17(20)19-15)11(2)21-23(3,4)5/h6-11,14-15H,1-5H3,(H,19,20)/t10-,11-,14-,15-/m1/s1.
What are the key properties of (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
(3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one has a molecular weight of 369.99 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(2R)-1-(4-chlorophenyl)-1-sulfanylidenepropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is sourced from PubChem (CID 22867594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).