N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline

C16H19N3S — CID 143578002

IUPACN-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline
SMILESCNc1ccccc1SC/C=N/N(C)c1ccccc1
InChIInChI=1S/C16H19N3S/c1-17-15-10-6-7-11-16(15)20-13-12-18-19(2)14-8-4-3-5-9-14/h3-12,17H,13H2,1-2H3/b18-12+
InChIKeyYLYNIDKMBHXIRP-LDADJPATSA-N
MW285.42 g/mol
LogP3.94
Rot. Bonds6

About N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline

N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline (PubChem CID 143578002) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline.

Molecular Properties

Compound NameN-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline
PubChem CID143578002
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline
SMILESCNc1ccccc1SC/C=N/N(C)c1ccccc1
InChIInChI=1S/C16H19N3S/c1-17-15-10-6-7-11-16(15)20-13-12-18-19(2)14-8-4-3-5-9-14/h3-12,17H,13H2,1-2H3/b18-12+
InChIKeyYLYNIDKMBHXIRP-LDADJPATSA-N
XLogP3.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline
CID 143578012
N-[2-(3,4-dimethylphenyl)sulfanylethylideneamino]-N-methylaniline
CID 139637692
1-[2-(methylamino)phenyl]sulfanylpropan-2-ol
CID 15265331
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine
CID 143569061
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-methylaniline
CID 7584047
2-[4-[2-[2-(methylamino)phenyl]sulfanylethylidene]quinolin-1-yl]ethanethiol
CID 143532644
N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline
CID 89320169
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
N-methyl-2-(propylaminosulfanyl)aniline
CID 145123235
2-[methyl(phenyl)hydrazinylidene]acetyl chloride
CID 23261017

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline?
The IUPAC name of N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline (CID 143578002) is N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline.
What is the SMILES notation for N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline?
The canonical SMILES for N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline is CNc1ccccc1SC/C=N/N(C)c1ccccc1.
What is the InChIKey of N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline?
The InChIKey is YLYNIDKMBHXIRP-LDADJPATSA-N. The full InChI is InChI=1S/C16H19N3S/c1-17-15-10-6-7-11-16(15)20-13-12-18-19(2)14-8-4-3-5-9-14/h3-12,17H,13H2,1-2H3/b18-12+.
What are the key properties of N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline?
N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline has a molecular weight of 285.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline is sourced from PubChem (CID 143578002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).