(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate

C7H13F3NO3SSi- — CID 155621370

IUPAC(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
SMILESC[Si](C)(C)CC/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3SSi/c1-16(2,3)5-4-6(12)11-15(13,14)7(8,9)10/h4-5H2,1-3H3,(H,11,12)/p-1
InChIKeyPMCNEHGCIPQNKF-UHFFFAOYSA-M
MW276.33 g/mol
LogP1.32
Rot. Bonds4

About (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate

(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate (PubChem CID 155621370) has the molecular formula C7H13F3NO3SSi- and a molecular weight of 276.33 g/mol. Its IUPAC name is (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate.

Molecular Properties

Compound Name(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
PubChem CID155621370
Molecular FormulaC7H13F3NO3SSi-
Molecular Weight276.33 g/mol
Exact Mass276.03
IUPAC Name(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
SMILESC[Si](C)(C)CC/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3SSi/c1-16(2,3)5-4-6(12)11-15(13,14)7(8,9)10/h4-5H2,1-3H3,(H,11,12)/p-1
InChIKeyPMCNEHGCIPQNKF-UHFFFAOYSA-M
XLogP1.32
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate 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

(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
CID 155621357
(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
CID 155621339
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
(E,1Z)-N-(trifluoromethylsulfonyl)octadec-9-enimidate
CID 155621297
(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
CID 59386224
(1Z)-6-(3-ethylimidazol-1-ium-1-yl)-N-(trifluoromethylsulfonyl)hexanimidate
CID 177480230
sodium 1-oxo-3-trimethylsilylpropane-1-sulfonate
CID 87586773
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate;trimethyl(oxiran-2-ylmethyl)azanium
CID 173032743
(1Z)-3-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-ium-1-yl]-N-(trifluoromethylsulfonyl)propanimidate
CID 177481273
methyl N'-(trifluoromethylsulfonyl)carbamimidate
CID 22864859
(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
CID 155621363

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate?
The IUPAC name of (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate (CID 155621370) is (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate.
What is the SMILES notation for (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate?
The canonical SMILES for (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate is C[Si](C)(C)CC/C([O-])=N/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate?
The InChIKey is PMCNEHGCIPQNKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14F3NO3SSi/c1-16(2,3)5-4-6(12)11-15(13,14)7(8,9)10/h4-5H2,1-3H3,(H,11,12)/p-1.
What are the key properties of (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate?
(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate has a molecular weight of 276.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate is sourced from PubChem (CID 155621370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).