4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide

C8H17F3NO5S2Si- — CID 153300674

IUPAC4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCO[Si](C)(C)CCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3NO5S2Si/c1-17-20(2,3)7-5-4-6-18(13,14)12-19(15,16)8(9,10)11/h4-7H2,1-3H3/q-1
InChIKeyCMRKAJBWLNWBNR-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.17
Rot. Bonds8

About 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide

4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 153300674) has the molecular formula C8H17F3NO5S2Si- and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID153300674
Molecular FormulaC8H17F3NO5S2Si-
Molecular Weight356.44 g/mol
Exact Mass356.03
IUPAC Name4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCO[Si](C)(C)CCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3NO5S2Si/c1-17-20(2,3)7-5-4-6-18(13,14)12-19(15,16)8(9,10)11/h4-7H2,1-3H3/q-1
InChIKeyCMRKAJBWLNWBNR-UHFFFAOYSA-N
XLogP2.17
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
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

decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
CID 153300698
12-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)dodecanamide
CID 153300305
sodium 3-(2-methylprop-2-enoyloxy)propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 162420868
3-[butyl(dimethyl)azaniumyl]propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 177489735
bis(trifluoromethylsulfonyl)azanide;trimethoxy(3-trimethoxysilylpropyl)azanium
CID 168975375
3,3,3-trifluoro-2-[9-[methoxy(dimethyl)silyl]nonanoyloxy]-2-(trifluoromethyl)propane-1-sulfonic acid
CID 153308380
3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 164777413
3-(3-ethylimidazol-1-ium-1-yl)propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 175784964
tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336
methoxy-dimethyl-nonylsilane
CID 58695494
hexadecyl-methoxy-dimethylsilane
CID 22228661

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide (CID 153300674) is 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide is CO[Si](C)(C)CCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is CMRKAJBWLNWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3NO5S2Si/c1-17-20(2,3)7-5-4-6-18(13,14)12-19(15,16)8(9,10)11/h4-7H2,1-3H3/q-1.
What are the key properties of 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide?
4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 356.44 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dimethyl)silyl]butylsulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 153300674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).