4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane

C8H16F3NO2SSi — CID 125492184

IUPAC4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane
SMILESC[Si]1(C)CCCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H16F3NO2SSi/c1-16(2)6-3-4-12(5-7-16)15(13,14)8(9,10)11/h3-7H2,1-2H3
InChIKeyDPOPANVGCKWMJF-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.25
Rot. Bonds1

About 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane

4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane (PubChem CID 125492184) has the molecular formula C8H16F3NO2SSi and a molecular weight of 275.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane.

Molecular Properties

Compound Name4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane
PubChem CID125492184
Molecular FormulaC8H16F3NO2SSi
Molecular Weight275.37 g/mol
Exact Mass275.06
IUPAC Name4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane
SMILESC[Si]1(C)CCCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H16F3NO2SSi/c1-16(2)6-3-4-12(5-7-16)15(13,14)8(9,10)11/h3-7H2,1-2H3
InChIKeyDPOPANVGCKWMJF-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-deuterio-1-(trifluoromethylsulfonyl)piperidine
CID 175981721
1-(trifluoromethylsulfonyl)piperazine
CID 18690833
1-(trifluoromethylsulfonyl)-1,4,7,10,14,17-hexazacycloicosane
CID 175452379
4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
CID 81103098
(3R,4R)-3,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 86276442
3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
CID 123629088
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 87431538
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)azepane
CID 126638181
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-thiol
CID 89345835
1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine
CID 127364965
1-methyl-4-[1,1,2,2,3-pentafluoro-3-[3-(trifluoromethylsulfonyl)butan-2-ylsulfonyl]propyl]sulfonylpiperazine
CID 123151093
3-methyl-3-pyrrolidin-1-ylsulfonylbutane-2-sulfonic acid
CID 118052248

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane?
The IUPAC name of 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane (CID 125492184) is 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane.
What is the SMILES notation for 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane?
The canonical SMILES for 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane is C[Si]1(C)CCCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane?
The InChIKey is DPOPANVGCKWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2SSi/c1-16(2)6-3-4-12(5-7-16)15(13,14)8(9,10)11/h3-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane?
4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane has a molecular weight of 275.37 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane is sourced from PubChem (CID 125492184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).