tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium

C15H33NO2SSi — CID 175168614

IUPACtert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium
SMILESC=CC[C@H](CO[Si](C)(C)C(C)(C)C)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C15H33NO2SSi/c1-10-11-13(16-19(17)14(2,3)4)12-18-20(8,9)15(5,6)7/h10,13,16H,1,11-12H2,2-9H3/t13-,19?/m1/s1
InChIKeyCZMVTIXHFRHUBH-BSOCMFCZSA-N
MW319.59 g/mol
LogP4.00
Rot. Bonds7

About tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium

tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium (PubChem CID 175168614) has the molecular formula C15H33NO2SSi and a molecular weight of 319.59 g/mol. Its IUPAC name is tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium
PubChem CID175168614
Molecular FormulaC15H33NO2SSi
Molecular Weight319.59 g/mol
Exact Mass319.20
IUPAC Nametert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium
SMILESC=CC[C@H](CO[Si](C)(C)C(C)(C)C)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C15H33NO2SSi/c1-10-11-13(16-19(17)14(2,3)4)12-18-20(8,9)15(5,6)7/h10,13,16H,1,11-12H2,2-9H3/t13-,19?/m1/s1
InChIKeyCZMVTIXHFRHUBH-BSOCMFCZSA-N
XLogP4.00
TPSA44.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 54.00
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium
CID 175296178
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
tert-butyl-[[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethyl]amino]-oxidosulfanium
CID 174146305
1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-N-methylpropan-2-amine
CID 71418024
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
CID 125487080
[(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-yl] methanesulfonate
CID 11175040
[[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium
CID 175140331
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
CID 175130327
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium (CID 175168614) is tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium is C=CC[C@H](CO[Si](C)(C)C(C)(C)C)N[S+]([O-])C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium?
The InChIKey is CZMVTIXHFRHUBH-BSOCMFCZSA-N. The full InChI is InChI=1S/C15H33NO2SSi/c1-10-11-13(16-19(17)14(2,3)4)12-18-20(8,9)15(5,6)7/h10,13,16H,1,11-12H2,2-9H3/t13-,19?/m1/s1.
What are the key properties of tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium?
tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium has a molecular weight of 319.59 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium is sourced from PubChem (CID 175168614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).