(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

C18H29NO4SSi — CID 102585686

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H29NO4SSi/c1-14-7-10-16(11-8-14)24(21,22)19-15(9-12-17(19)20)13-23-25(5,6)18(2,3)4/h7-8,10-11,15H,9,12-13H2,1-6H3/t15-/m0/s1
InChIKeyLYPOBGJNCIWCKO-HNNXBMFYSA-N
MW383.59 g/mol
LogP3.70
Rot. Bonds5

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 102585686) has the molecular formula C18H29NO4SSi and a molecular weight of 383.59 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID102585686
Molecular FormulaC18H29NO4SSi
Molecular Weight383.59 g/mol
Exact Mass383.16
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H29NO4SSi/c1-14-7-10-16(11-8-14)24(21,22)19-15(9-12-17(19)20)13-23-25(5,6)18(2,3)4/h7-8,10-11,15H,9,12-13H2,1-6H3/t15-/m0/s1
InChIKeyLYPOBGJNCIWCKO-HNNXBMFYSA-N
XLogP3.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.59
LogP ≤ 53.70
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 (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 102585686) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is LYPOBGJNCIWCKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29NO4SSi/c1-14-7-10-16(11-8-14)24(21,22)19-15(9-12-17(19)20)13-23-25(5,6)18(2,3)4/h7-8,10-11,15H,9,12-13H2,1-6H3/t15-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 383.59 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 102585686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).