(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one

C14H29NO2SSi — CID 10709586

IUPAC(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one
SMILESCC(C)S[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2SSi/c1-9(2)18-13-11(12(16)15-13)10(3)17-19(7,8)14(4,5)6/h9-11,13H,1-8H3,(H,15,16)/t10-,11+,13-/m1/s1
InChIKeyMHFRLOKXBCAXIH-NTZNESFSSA-N
MW303.54 g/mol
LogP3.61
Rot. Bonds5

About (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one (PubChem CID 10709586) has the molecular formula C14H29NO2SSi and a molecular weight of 303.54 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one
PubChem CID10709586
Molecular FormulaC14H29NO2SSi
Molecular Weight303.54 g/mol
Exact Mass303.17
IUPAC Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one
SMILESCC(C)S[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2SSi/c1-9(2)18-13-11(12(16)15-13)10(3)17-19(7,8)14(4,5)6/h9-11,13H,1-8H3,(H,15,16)/t10-,11+,13-/m1/s1
InChIKeyMHFRLOKXBCAXIH-NTZNESFSSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

S-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methoxyethanethioate
CID 11142198
3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylsulfonylazetidin-2-one
CID 14486195
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(iodomethyl)azetidin-2-one
CID 13073914
(3S,4S)-4-acetyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 13488756
S-[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] (2R)-oxolane-2-carbothioate
CID 141320936
3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tert-butylsulfonylazetidin-2-one
CID 67931664
methyl (2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carboxylate
CID 13073908
[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
[(2R,3R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-methylpropanoate
CID 67642904
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R,3R)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
CID 100993255
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4,4-dimethylpenta-1,2-dien-3-yl)azetidin-2-one
CID 101437017
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-methylprop-2-enyl)azetidin-2-one
CID 100963871

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one (CID 10709586) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one is CC(C)S[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one?
The InChIKey is MHFRLOKXBCAXIH-NTZNESFSSA-N. The full InChI is InChI=1S/C14H29NO2SSi/c1-9(2)18-13-11(12(16)15-13)10(3)17-19(7,8)14(4,5)6/h9-11,13H,1-8H3,(H,15,16)/t10-,11+,13-/m1/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one?
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one has a molecular weight of 303.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-propan-2-ylsulfanylazetidin-2-one is sourced from PubChem (CID 10709586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).