tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium

C26H36N2O2SSi — CID 175564004

IUPACtert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium
SMILESCC(C)(C)[S+]([O-])NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1(C#N)CC1
InChIInChI=1S/C26H36N2O2SSi/c1-24(2,3)31(29)28-23(26(20-27)17-18-26)19-30-32(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23,28H,17-19H2,1-6H3
InChIKeyWKSLZEZQHGLLLV-UHFFFAOYSA-N
MW468.74 g/mol
LogP4.29
Rot. Bonds8

About tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium

tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium (PubChem CID 175564004) has the molecular formula C26H36N2O2SSi and a molecular weight of 468.74 g/mol. Its IUPAC name is tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium
PubChem CID175564004
Molecular FormulaC26H36N2O2SSi
Molecular Weight468.74 g/mol
Exact Mass468.23
IUPAC Nametert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium
SMILESCC(C)(C)[S+]([O-])NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1(C#N)CC1
InChIInChI=1S/C26H36N2O2SSi/c1-24(2,3)31(29)28-23(26(20-27)17-18-26)19-30-32(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23,28H,17-19H2,1-6H3
InChIKeyWKSLZEZQHGLLLV-UHFFFAOYSA-N
XLogP4.29
TPSA68.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.74
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
CID 169182525
tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium
CID 174054652
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[[(E,4S)-8-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-5-en-4-yl]amino]-oxidosulfanium
CID 174082233
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
(3S)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-1-azaspiro[2.3]hexane-4,4,5,5-tetracarbonitrile
CID 101036757
(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
CID 66588772
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
CID 123510913
N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
CID 174058629
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium (CID 175564004) is tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium is CC(C)(C)[S+]([O-])NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1(C#N)CC1.
What is the InChIKey of tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium?
The InChIKey is WKSLZEZQHGLLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2SSi/c1-24(2,3)31(29)28-23(26(20-27)17-18-26)19-30-32(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23,28H,17-19H2,1-6H3.
What are the key properties of tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium?
tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium has a molecular weight of 468.74 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium is sourced from PubChem (CID 175564004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).