(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate

C14H23F3NO3S- — CID 155621363

IUPAC(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
SMILESO=S(=O)(/N=C(\[O-])C1CCCCCCCCCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO3S/c15-14(16,17)22(20,21)18-13(19)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,18,19)/p-1
InChIKeyNOJOCCUZJBMKHF-UHFFFAOYSA-M
MW342.40 g/mol
LogP3.52
Rot. Bonds2

About (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate

(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate (PubChem CID 155621363) has the molecular formula C14H23F3NO3S- and a molecular weight of 342.40 g/mol. Its IUPAC name is (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate.

Molecular Properties

Compound Name(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
PubChem CID155621363
Molecular FormulaC14H23F3NO3S-
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
SMILESO=S(=O)(/N=C(\[O-])C1CCCCCCCCCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO3S/c15-14(16,17)22(20,21)18-13(19)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,18,19)/p-1
InChIKeyNOJOCCUZJBMKHF-UHFFFAOYSA-M
XLogP3.52
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate 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)-3-(2,3,6-triiodobenzoyl)oxycyclohexane-1-carboximidate
CID 153287495
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
CID 59386224
(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
(9Z)-5-oxo-N-(trifluoromethylsulfonyl)-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboximidate
CID 155621477
cyclotetradecanecarboxylate
CID 140590492
N-(trifluoromethylsulfonyl)cyclooctanecarboxamide
CID 155170746
(4Z)-N-(trifluoromethylsulfonyl)-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane-4-carboximidate
CID 164777427
cyclohexylazanium;2,2,2-trifluoroacetate
CID 69179131
(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
CID 155621339
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate?
The IUPAC name of (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate (CID 155621363) is (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate.
What is the SMILES notation for (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate?
The canonical SMILES for (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate is O=S(=O)(/N=C(\[O-])C1CCCCCCCCCCC1)C(F)(F)F.
What is the InChIKey of (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate?
The InChIKey is NOJOCCUZJBMKHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24F3NO3S/c15-14(16,17)22(20,21)18-13(19)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,18,19)/p-1.
What are the key properties of (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate?
(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate has a molecular weight of 342.40 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate is sourced from PubChem (CID 155621363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).