N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline

C17H20N2S — CID 139637692

IUPACN-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline
SMILESCc1ccc(SCC=NN(C)c2ccccc2)cc1C
InChIInChI=1S/C17H20N2S/c1-14-9-10-17(13-15(14)2)20-12-11-18-19(3)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3
InChIKeyBWAHVXYXCPYDHA-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.52
Rot. Bonds5

About N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline

N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline (PubChem CID 139637692) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline
PubChem CID139637692
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline
SMILESCc1ccc(SCC=NN(C)c2ccccc2)cc1C
InChIInChI=1S/C17H20N2S/c1-14-9-10-17(13-15(14)2)20-12-11-18-19(3)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3
InChIKeyBWAHVXYXCPYDHA-UHFFFAOYSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline?
The IUPAC name of N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline (CID 139637692) is N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline is Cc1ccc(SCC=NN(C)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline?
The InChIKey is BWAHVXYXCPYDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-14-9-10-17(13-15(14)2)20-12-11-18-19(3)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline?
N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline has a molecular weight of 284.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline is sourced from PubChem (CID 139637692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).