tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium

C26H39NO2SSi — CID 174054652

IUPACtert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium
SMILESC[C@H](N[S+]([O-])C(C)(C)C)[C@@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H39NO2SSi/c1-20(27-30(28)25(2,3)4)24-18-21(24)19-29-31(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21,24,27H,18-19H2,1-7H3/t20-,21-,24-,30?/m0/s1
InChIKeyZCGZAOLHCDOHOS-LCAXODFVSA-N
MW457.76 g/mol
LogP4.64
Rot. Bonds8

About tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium

tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium (PubChem CID 174054652) has the molecular formula C26H39NO2SSi and a molecular weight of 457.76 g/mol. Its IUPAC name is tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium
PubChem CID174054652
Molecular FormulaC26H39NO2SSi
Molecular Weight457.76 g/mol
Exact Mass457.25
IUPAC Nametert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium
SMILESC[C@H](N[S+]([O-])C(C)(C)C)[C@@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H39NO2SSi/c1-20(27-30(28)25(2,3)4)24-18-21(24)19-29-31(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21,24,27H,18-19H2,1-7H3/t20-,21-,24-,30?/m0/s1
InChIKeyZCGZAOLHCDOHOS-LCAXODFVSA-N
XLogP4.64
TPSA44.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-3-methylbutan-1-ol
CID 11133052
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
CID 122220290
tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium
CID 175564004
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
(NE,R)-N-[(2R)-2-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propylidene]-2-methylpropane-2-sulfinamide
CID 71763875
tert-butyl-[[(E,4S)-8-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-5-en-4-yl]amino]-oxidosulfanium
CID 174082233
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium (CID 174054652) is tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium is C[C@H](N[S+]([O-])C(C)(C)C)[C@@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium?
The InChIKey is ZCGZAOLHCDOHOS-LCAXODFVSA-N. The full InChI is InChI=1S/C26H39NO2SSi/c1-20(27-30(28)25(2,3)4)24-18-21(24)19-29-31(26(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21,24,27H,18-19H2,1-7H3/t20-,21-,24-,30?/m0/s1.
What are the key properties of tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium?
tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium has a molecular weight of 457.76 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethyl]amino]-oxidosulfanium is sourced from PubChem (CID 174054652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).