N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide

C15H33NO2SSi — CID 10958160

IUPACN-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide
SMILESCC(C)=CCCC(C)CCNS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H33NO2SSi/c1-14(2)8-7-9-15(3)10-11-16-19(17,18)12-13-20(4,5)6/h8,15-16H,7,9-13H2,1-6H3
InChIKeyNSBFONQFHVKFRR-UHFFFAOYSA-N
MW319.59 g/mol
LogP4.02
Rot. Bonds10

About N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide

N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide (PubChem CID 10958160) has the molecular formula C15H33NO2SSi and a molecular weight of 319.59 g/mol. Its IUPAC name is N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound NameN-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide
PubChem CID10958160
Molecular FormulaC15H33NO2SSi
Molecular Weight319.59 g/mol
Exact Mass319.20
IUPAC NameN-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide
SMILESCC(C)=CCCC(C)CCNS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C15H33NO2SSi/c1-14(2)8-7-9-15(3)10-11-16-19(17,18)12-13-20(4,5)6/h8,15-16H,7,9-13H2,1-6H3
InChIKeyNSBFONQFHVKFRR-UHFFFAOYSA-N
XLogP4.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 54.02
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'}

Analyze N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide 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

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide
CID 10914119
N-(3,7-dimethyloct-6-enyl)-2-trimethylsilyl-N-(2-trimethylsilylethylsulfonyl)ethanesulfonamide
CID 11762623
N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
CID 61808806
N-(cyclohex-3-en-1-ylmethyl)propane-2-sulfonamide
CID 61808807
N-(cyclohex-3-en-1-ylmethyl)propane-1-sulfonamide
CID 61808808

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide?
The IUPAC name of N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide (CID 10958160) is N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide?
The canonical SMILES for N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide is CC(C)=CCCC(C)CCNS(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide?
The InChIKey is NSBFONQFHVKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2SSi/c1-14(2)8-7-9-15(3)10-11-16-19(17,18)12-13-20(4,5)6/h8,15-16H,7,9-13H2,1-6H3.
What are the key properties of N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide?
N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide has a molecular weight of 319.59 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyloct-6-enyl)-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 10958160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).