N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline

C12H18NO2PS — CID 159006329

IUPACN-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline
SMILESCCOP(=O)(/C=C\SC)Nc1ccc(C)cc1
InChIInChI=1S/C12H18NO2PS/c1-4-15-16(14,9-10-17-3)13-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,13,14)/b10-9-
InChIKeyJRYSOYXSCLBYGZ-KTKRTIGZSA-N
MW271.32 g/mol
LogP4.47
Rot. Bonds6

About N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline

N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline (PubChem CID 159006329) has the molecular formula C12H18NO2PS and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline.

Molecular Properties

Compound NameN-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline
PubChem CID159006329
Molecular FormulaC12H18NO2PS
Molecular Weight271.32 g/mol
Exact Mass271.08
IUPAC NameN-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline
SMILESCCOP(=O)(/C=C\SC)Nc1ccc(C)cc1
InChIInChI=1S/C12H18NO2PS/c1-4-15-16(14,9-10-17-3)13-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,13,14)/b10-9-
InChIKeyJRYSOYXSCLBYGZ-KTKRTIGZSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline 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

1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
CID 10848734
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide
CID 15001480
N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide
CID 11760221
(E)-N-diethoxyphosphoryl-1-(4-methylphenyl)methanimine
CID 24976772
diethoxyphosphoryl-(4-methylphenyl)azanium
CID 143511505
(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
CID 72946419
N-[(2,4-dimethylanilino)-ethoxyphosphoryl]-2,4-dimethylaniline
CID 6431964
N-[anthracen-9-yl(diethoxyphosphoryl)methyl]-4-methylaniline
CID 57397637
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
2-diethoxyphosphoryl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 135005313

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline?
The IUPAC name of N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline (CID 159006329) is N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline.
What is the SMILES notation for N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline?
The canonical SMILES for N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline is CCOP(=O)(/C=C\SC)Nc1ccc(C)cc1.
What is the InChIKey of N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline?
The InChIKey is JRYSOYXSCLBYGZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H18NO2PS/c1-4-15-16(14,9-10-17-3)13-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,13,14)/b10-9-.
What are the key properties of N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline?
N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline has a molecular weight of 271.32 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy-[(Z)-2-methylsulfanylethenyl]phosphoryl]-4-methylaniline is sourced from PubChem (CID 159006329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).