4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide

C9H18F3NO4SSi — CID 153300335

IUPAC4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide
SMILESCO[Si](C)(C)CC(C)CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H18F3NO4SSi/c1-7(6-19(3,4)17-2)5-8(14)13-18(15,16)9(10,11)12/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyFWPHTKHWCILEPE-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.83
Rot. Bonds6

About 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide

4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide (PubChem CID 153300335) has the molecular formula C9H18F3NO4SSi and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide.

Molecular Properties

Compound Name4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide
PubChem CID153300335
Molecular FormulaC9H18F3NO4SSi
Molecular Weight321.39 g/mol
Exact Mass321.07
IUPAC Name4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide
SMILESCO[Si](C)(C)CC(C)CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H18F3NO4SSi/c1-7(6-19(3,4)17-2)5-8(14)13-18(15,16)9(10,11)12/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyFWPHTKHWCILEPE-UHFFFAOYSA-N
XLogP1.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)dodecanamide
CID 153300305
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)hexanamide
CID 153300358
methyl 3-[methoxy(dimethyl)silyl]-2-methylpropanoate
CID 58989046
7-methyl-N-(trifluoromethylsulfonyl)octanamide
CID 146494618
2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide
CID 89050003
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
CID 153300698
3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol
CID 22251041
(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid
CID 10731266
dimethyl (2S,3R)-2,3-bis(trifluoromethylsulfonylamino)butanedioate
CID 102512577
3-methyl-4-(trifluoromethylsulfonylamino)butanoic acid
CID 81066675
1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid
CID 153308388
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide?
The IUPAC name of 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide (CID 153300335) is 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide.
What is the SMILES notation for 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide?
The canonical SMILES for 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide is CO[Si](C)(C)CC(C)CC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide?
The InChIKey is FWPHTKHWCILEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO4SSi/c1-7(6-19(3,4)17-2)5-8(14)13-18(15,16)9(10,11)12/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide?
4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide has a molecular weight of 321.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dimethyl)silyl]-3-methyl-N-(trifluoromethylsulfonyl)butanamide is sourced from PubChem (CID 153300335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).