N-diazo-2-triethoxysilylhexane-1-sulfonamide

C12H27N3O5SSi — CID 19882891

IUPACN-diazo-2-triethoxysilylhexane-1-sulfonamide
SMILESCCCCC(CS(=O)(=O)N=[N+]=[N-])[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H27N3O5SSi/c1-5-9-10-12(11-21(16,17)15-14-13)22(18-6-2,19-7-3)20-8-4/h12H,5-11H2,1-4H3
InChIKeyCZXMQNOGPCOCKV-UHFFFAOYSA-N
MW353.52 g/mol
LogP3.24
Rot. Bonds13

About N-diazo-2-triethoxysilylhexane-1-sulfonamide

N-diazo-2-triethoxysilylhexane-1-sulfonamide (PubChem CID 19882891) has the molecular formula C12H27N3O5SSi and a molecular weight of 353.52 g/mol. Its IUPAC name is N-diazo-2-triethoxysilylhexane-1-sulfonamide.

Molecular Properties

Compound NameN-diazo-2-triethoxysilylhexane-1-sulfonamide
PubChem CID19882891
Molecular FormulaC12H27N3O5SSi
Molecular Weight353.52 g/mol
Exact Mass353.14
IUPAC NameN-diazo-2-triethoxysilylhexane-1-sulfonamide
SMILESCCCCC(CS(=O)(=O)N=[N+]=[N-])[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H27N3O5SSi/c1-5-9-10-12(11-21(16,17)15-14-13)22(18-6-2,19-7-3)20-8-4/h12H,5-11H2,1-4H3
InChIKeyCZXMQNOGPCOCKV-UHFFFAOYSA-N
XLogP3.24
TPSA110.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-bromohexan-2-yl(triethoxy)silane
CID 142614028
N-diazononane-1-sulfonamide
CID 21453350
2-triethoxysilylhexan-1-amine
CID 87125413
1-triethoxysilyldecan-1-amine
CID 87463354
hexylsilane;sulfuryl diazide
CID 173397823
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
ethoxyethane;sulfuryl diazide
CID 174776903
triethoxy(1-isocyanatohexan-3-yl)silane
CID 155699226
3-triethoxysilyloctoxymethanedithioic acid
CID 171618553
2-triethoxysilyldodecanal
CID 162716787
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
tributyl(1-triethoxysilylpropyl)phosphanium
CID 22910406

Frequently Asked Questions

What is the IUPAC name of N-diazo-2-triethoxysilylhexane-1-sulfonamide?
The IUPAC name of N-diazo-2-triethoxysilylhexane-1-sulfonamide (CID 19882891) is N-diazo-2-triethoxysilylhexane-1-sulfonamide.
What is the SMILES notation for N-diazo-2-triethoxysilylhexane-1-sulfonamide?
The canonical SMILES for N-diazo-2-triethoxysilylhexane-1-sulfonamide is CCCCC(CS(=O)(=O)N=[N+]=[N-])[Si](OCC)(OCC)OCC.
What is the InChIKey of N-diazo-2-triethoxysilylhexane-1-sulfonamide?
The InChIKey is CZXMQNOGPCOCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O5SSi/c1-5-9-10-12(11-21(16,17)15-14-13)22(18-6-2,19-7-3)20-8-4/h12H,5-11H2,1-4H3.
What are the key properties of N-diazo-2-triethoxysilylhexane-1-sulfonamide?
N-diazo-2-triethoxysilylhexane-1-sulfonamide has a molecular weight of 353.52 g/mol, XLogP of 3.24, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-2-triethoxysilylhexane-1-sulfonamide is sourced from PubChem (CID 19882891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).