tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane

C22H36ClNO4SSi — CID 59389225

IUPACtert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane
SMILESCCC[C@@H]1COC[C@H](C2(O[Si](C)(C)C(C)(C)C)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H36ClNO4SSi/c1-7-8-18-15-27-16-20(22(13-14-22)28-30(5,6)21(2,3)4)24(18)29(25,26)19-11-9-17(23)10-12-19/h9-12,18,20H,7-8,13-16H2,1-6H3/t18-,20-/m1/s1
InChIKeyRTYOSXHLACUMLY-UYAOXDASSA-N
MW474.14 g/mol
LogP5.45
Rot. Bonds7

About tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane (PubChem CID 59389225) has the molecular formula C22H36ClNO4SSi and a molecular weight of 474.14 g/mol. Its IUPAC name is tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane
PubChem CID59389225
Molecular FormulaC22H36ClNO4SSi
Molecular Weight474.14 g/mol
Exact Mass473.18
IUPAC Nametert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane
SMILESCCC[C@@H]1COC[C@H](C2(O[Si](C)(C)C(C)(C)C)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H36ClNO4SSi/c1-7-8-18-15-27-16-20(22(13-14-22)28-30(5,6)21(2,3)4)24(18)29(25,26)19-11-9-17(23)10-12-19/h9-12,18,20H,7-8,13-16H2,1-6H3/t18-,20-/m1/s1
InChIKeyRTYOSXHLACUMLY-UYAOXDASSA-N
XLogP5.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.14
LogP ≤ 55.45
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 tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane (CID 59389225) is tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane is CCC[C@@H]1COC[C@H](C2(O[Si](C)(C)C(C)(C)C)CC2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is RTYOSXHLACUMLY-UYAOXDASSA-N. The full InChI is InChI=1S/C22H36ClNO4SSi/c1-7-8-18-15-27-16-20(22(13-14-22)28-30(5,6)21(2,3)4)24(18)29(25,26)19-11-9-17(23)10-12-19/h9-12,18,20H,7-8,13-16H2,1-6H3/t18-,20-/m1/s1.
What are the key properties of tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 474.14 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 59389225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).