5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide

C9H20F3NO5S2Si — CID 153300698

IUPAC5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCO[Si](C)(C)CCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H20F3NO5S2Si/c1-18-21(2,3)8-6-4-5-7-19(14,15)13-20(16,17)9(10,11)12/h13H,4-8H2,1-3H3
InChIKeyRXJNSFATNCGVJK-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.78
Rot. Bonds9

About 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide

5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (PubChem CID 153300698) has the molecular formula C9H20F3NO5S2Si and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
PubChem CID153300698
Molecular FormulaC9H20F3NO5S2Si
Molecular Weight371.48 g/mol
Exact Mass371.05
IUPAC Name5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCO[Si](C)(C)CCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H20F3NO5S2Si/c1-18-21(2,3)8-6-4-5-7-19(14,15)13-20(16,17)9(10,11)12/h13H,4-8H2,1-3H3
InChIKeyRXJNSFATNCGVJK-UHFFFAOYSA-N
XLogP1.78
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

12-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)dodecanamide
CID 153300305
4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 153300674
11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
CID 158263815
3-bromo-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 174191027
3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 102490574
3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
3,3,3-trifluoro-2-[9-[methoxy(dimethyl)silyl]nonanoyloxy]-2-(trifluoromethyl)propane-1-sulfonic acid
CID 153308380
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
methoxy-dimethyl-nonylsilane
CID 58695494
hexadecyl-methoxy-dimethylsilane
CID 22228661
N-ethyl-11-[methoxy(dimethyl)silyl]undecanamide
CID 59782510
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The IUPAC name of 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (CID 153300698) is 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.
What is the SMILES notation for 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The canonical SMILES for 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is CO[Si](C)(C)CCCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The InChIKey is RXJNSFATNCGVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3NO5S2Si/c1-18-21(2,3)8-6-4-5-7-19(14,15)13-20(16,17)9(10,11)12/h13H,4-8H2,1-3H3.
What are the key properties of 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide has a molecular weight of 371.48 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is sourced from PubChem (CID 153300698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).