[[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium

C19H35N5O2SSi — CID 175140331

About [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium

[[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium (PubChem CID 175140331) has the molecular formula C19H35N5O2SSi and a molecular weight of 425.68 g/mol. Its IUPAC name is [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium.

Molecular Properties

• Compound Name: [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium
• PubChem CID: 175140331
• Molecular Formula: C19H35N5O2SSi
• Molecular Weight: 425.68 g/mol
• Exact Mass: 425.23
• IUPAC Name: [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium
• SMILES: CC(C)(C)[S+]([O-])N[C@@H](CCO[Si](C)(C)C(C)(C)C)Cc1cccc(N=[N+]=[N-])n1
• InChI: InChI=1S/C19H35N5O2SSi/c1-18(2,3)27(25)23-16(12-13-26-28(7,8)19(4,5)6)14-15-10-9-11-17(21-15)22-24-20/h9-11,16,23H,12-14H2,1-8H3/t16-,27?/m0/s1
• InChIKey: QANXYTXMQPCWQA-CJKOFORZSA-N
• XLogP: 5.40
• TPSA: 105.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.68
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium?

The IUPAC name of [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium (CID 175140331) is [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium.

What is the SMILES notation for [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium?

The canonical SMILES for [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium is CC(C)(C)[S+]([O-])N[C@@H](CCO[Si](C)(C)C(C)(C)C)Cc1cccc(N=[N+]=[N-])n1.

What is the InChIKey of [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium?

The InChIKey is QANXYTXMQPCWQA-CJKOFORZSA-N. The full InChI is InChI=1S/C19H35N5O2SSi/c1-18(2,3)27(25)23-16(12-13-26-28(7,8)19(4,5)6)14-15-10-9-11-17(21-15)22-24-20/h9-11,16,23H,12-14H2,1-8H3/t16-,27?/m0/s1.

What are the key properties of [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium?

[[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium has a molecular weight of 425.68 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R)-1-(6-azido-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]amino]-tert-butyl-oxidosulfanium is sourced from PubChem (CID 175140331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).