tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium

C14H31NO2SSi — CID 175131930

IUPACtert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium
SMILESC[C@@H](CC=N[S+]([O-])C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO2SSi/c1-12(17-19(8,9)14(5,6)7)10-11-15-18(16)13(2,3)4/h11-12H,10H2,1-9H3/t12-,18?/m0/s1
InChIKeyHHSNBYWXVXONAM-RSXQAXDFSA-N
MW305.56 g/mol
LogP4.32
Rot. Bonds5

About tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium

tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium (PubChem CID 175131930) has the molecular formula C14H31NO2SSi and a molecular weight of 305.56 g/mol. Its IUPAC name is tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium
PubChem CID175131930
Molecular FormulaC14H31NO2SSi
Molecular Weight305.56 g/mol
Exact Mass305.18
IUPAC Nametert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium
SMILESC[C@@H](CC=N[S+]([O-])C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO2SSi/c1-12(17-19(8,9)14(5,6)7)10-11-15-18(16)13(2,3)4/h11-12H,10H2,1-9H3/t12-,18?/m0/s1
InChIKeyHHSNBYWXVXONAM-RSXQAXDFSA-N
XLogP4.32
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
LogP ≤ 54.32
H-Bond Donors ≤ 50
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
CID 150420736
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 5371565
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane
CID 91697262
3-[tert-butyl(dimethyl)silyl]oxybutyl methanesulfonate
CID 54173947
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 88577810
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylpropan-1-amine
CID 156904543
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium (CID 175131930) is tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium is C[C@@H](CC=N[S+]([O-])C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium?
The InChIKey is HHSNBYWXVXONAM-RSXQAXDFSA-N. The full InChI is InChI=1S/C14H31NO2SSi/c1-12(17-19(8,9)14(5,6)7)10-11-15-18(16)13(2,3)4/h11-12H,10H2,1-9H3/t12-,18?/m0/s1.
What are the key properties of tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium?
tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium has a molecular weight of 305.56 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium is sourced from PubChem (CID 175131930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).