N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide

C15H16N2S — CID 18771509

IUPACN'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
SMILESC/N=C(\N)c1ccccc1-c1ccc(SC)cc1
InChIInChI=1S/C15H16N2S/c1-17-15(16)14-6-4-3-5-13(14)11-7-9-12(18-2)10-8-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyKWPOQGKVJXHSCT-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.41
Rot. Bonds3

About N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide

N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide (PubChem CID 18771509) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
PubChem CID18771509
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC NameN'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
SMILESC/N=C(\N)c1ccccc1-c1ccc(SC)cc1
InChIInChI=1S/C15H16N2S/c1-17-15(16)14-6-4-3-5-13(14)11-7-9-12(18-2)10-8-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyKWPOQGKVJXHSCT-UHFFFAOYSA-N
XLogP3.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide 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 N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide?
The IUPAC name of N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide (CID 18771509) is N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide is C/N=C(\N)c1ccccc1-c1ccc(SC)cc1.
What is the InChIKey of N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide?
The InChIKey is KWPOQGKVJXHSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-17-15(16)14-6-4-3-5-13(14)11-7-9-12(18-2)10-8-11/h3-10H,1-2H3,(H2,16,17).
What are the key properties of N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide?
N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide has a molecular weight of 256.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide is sourced from PubChem (CID 18771509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).