cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate

C15H19FN2S — CID 138554758

IUPACcyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate
SMILESC=Nc1ccc(F)cc1/C(=N/C)SC1CCCCC1
InChIInChI=1S/C15H19FN2S/c1-17-14-9-8-11(16)10-13(14)15(18-2)19-12-6-4-3-5-7-12/h8-10,12H,1,3-7H2,2H3/b18-15-
InChIKeyHAQVPPKZRQKDSF-SDXDJHTJSA-N
MW278.40 g/mol
LogP4.60
Rot. Bonds3

About cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate

cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate (PubChem CID 138554758) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate.

Molecular Properties

Compound Namecyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate
PubChem CID138554758
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Namecyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate
SMILESC=Nc1ccc(F)cc1/C(=N/C)SC1CCCCC1
InChIInChI=1S/C15H19FN2S/c1-17-14-9-8-11(16)10-13(14)15(18-2)19-12-6-4-3-5-7-12/h8-10,12H,1,3-7H2,2H3/b18-15-
InChIKeyHAQVPPKZRQKDSF-SDXDJHTJSA-N
XLogP4.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.60
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 cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate?
The IUPAC name of cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate (CID 138554758) is cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate.
What is the SMILES notation for cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate?
The canonical SMILES for cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate is C=Nc1ccc(F)cc1/C(=N/C)SC1CCCCC1.
What is the InChIKey of cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate?
The InChIKey is HAQVPPKZRQKDSF-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-17-14-9-8-11(16)10-13(14)15(18-2)19-12-6-4-3-5-7-12/h8-10,12H,1,3-7H2,2H3/b18-15-.
What are the key properties of cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate?
cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate has a molecular weight of 278.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-fluoro-N-methyl-2-(methylideneamino)benzenecarboximidothioate is sourced from PubChem (CID 138554758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).