1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane

C12H28N4O3SSi — CID 87527905

IUPAC1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane
SMILESCN(CCCCCO[Si](C)(C)C(C)(C)C)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C12H28N4O3SSi/c1-12(2,3)21(5,6)19-11-9-7-8-10-16(4)20(17,18)15-14-13/h7-11H2,1-6H3
InChIKeyAOYOYRMERVCCTJ-UHFFFAOYSA-N
MW336.53 g/mol
LogP3.67
Rot. Bonds9

About 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane

1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane (PubChem CID 87527905) has the molecular formula C12H28N4O3SSi and a molecular weight of 336.53 g/mol. Its IUPAC name is 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane.

Molecular Properties

Compound Name1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane
PubChem CID87527905
Molecular FormulaC12H28N4O3SSi
Molecular Weight336.53 g/mol
Exact Mass336.17
IUPAC Name1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane
SMILESCN(CCCCCO[Si](C)(C)C(C)(C)C)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C12H28N4O3SSi/c1-12(2,3)21(5,6)19-11-9-7-8-10-16(4)20(17,18)15-14-13/h7-11H2,1-6H3
InChIKeyAOYOYRMERVCCTJ-UHFFFAOYSA-N
XLogP3.67
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[azidosulfonyl(methyl)amino]-3-methoxypropane
CID 87527911
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
CID 155738458
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
CID 153437849
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 71713804
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
tert-butyl-dimethyl-[4-[(S)-methylsulfinyl]butoxy]silane
CID 10332372
3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
CID 87451074

Frequently Asked Questions

What is the IUPAC name of 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane?
The IUPAC name of 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane (CID 87527905) is 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane.
What is the SMILES notation for 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane?
The canonical SMILES for 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane is CN(CCCCCO[Si](C)(C)C(C)(C)C)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane?
The InChIKey is AOYOYRMERVCCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O3SSi/c1-12(2,3)21(5,6)19-11-9-7-8-10-16(4)20(17,18)15-14-13/h7-11H2,1-6H3.
What are the key properties of 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane?
1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane has a molecular weight of 336.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azidosulfonyl(methyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentane is sourced from PubChem (CID 87527905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).