(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione

C21H27NOSSi — CID 15178091

IUPAC(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione
SMILESCC(C)(C)[Si](OC[C@H]1CCC(=S)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NOSSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(24)22-17/h4-13,17H,14-16H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyWODZCUOBHXYEJJ-QGZVFWFLSA-N
MW369.61 g/mol
LogP3.64
Rot. Bonds5

About (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione

(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione (PubChem CID 15178091) has the molecular formula C21H27NOSSi and a molecular weight of 369.61 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione
PubChem CID15178091
Molecular FormulaC21H27NOSSi
Molecular Weight369.61 g/mol
Exact Mass369.16
IUPAC Name(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione
SMILESCC(C)(C)[Si](OC[C@H]1CCC(=S)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NOSSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(24)22-17/h4-13,17H,14-16H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyWODZCUOBHXYEJJ-QGZVFWFLSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione?
The IUPAC name of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione (CID 15178091) is (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione.
What is the SMILES notation for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione?
The canonical SMILES for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione is CC(C)(C)[Si](OC[C@H]1CCC(=S)N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione?
The InChIKey is WODZCUOBHXYEJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NOSSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(24)22-17/h4-13,17H,14-16H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione?
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione has a molecular weight of 369.61 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-thione is sourced from PubChem (CID 15178091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).