N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide

C15H31NO2SSi — CID 10914119

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H31NO2SSi/c1-14(2)8-7-9-15(3)10-11-16-19(17,18)12-13-20(4,5)6/h8,10,16H,7,9,11-13H2,1-6H3/b15-10+
InChIKeyQRHWTODEOUHEJJ-XNTDXEJSSA-N
MW317.57 g/mol
LogP3.94
Rot. Bonds9

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide (PubChem CID 10914119) has the molecular formula C15H31NO2SSi and a molecular weight of 317.57 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide
PubChem CID10914119
Molecular FormulaC15H31NO2SSi
Molecular Weight317.57 g/mol
Exact Mass317.18
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H31NO2SSi/c1-14(2)8-7-9-15(3)10-11-16-19(17,18)12-13-20(4,5)6/h8,10,16H,7,9,11-13H2,1-6H3/b15-10+
InChIKeyQRHWTODEOUHEJJ-XNTDXEJSSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-2,7-octadienyl-n-butanesulfonamide
CID 129812590
2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
CID 134998499
2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide
CID 134999197
N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide
CID 135075477
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
(1Z)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
CID 87160697
(1E)-N-ethyl-2,6-dimethylhepta-1,5-diene-1-sulfonamide
CID 87160698
N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide
CID 10958160

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide (CID 10914119) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide is CC(C)=CCC/C(C)=C/CNS(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide?
The InChIKey is QRHWTODEOUHEJJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H31NO2SSi/c1-14(2)8-7-9-15(3)10-11-16-19(17,18)12-13-20(4,5)6/h8,10,16H,7,9,11-13H2,1-6H3/b15-10+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide has a molecular weight of 317.57 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 10914119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).