N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine

C16H19NOS — CID 142980228

IUPACN-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine
SMILESC=S(=O)(NCC)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NOS/c1-4-17-19(3,18)16-11-9-15(10-12-16)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyKJUADWKDRGWMLS-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.26
Rot. Bonds4

About N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine

N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine (PubChem CID 142980228) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine.

Molecular Properties

Compound NameN-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine
PubChem CID142980228
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine
SMILESC=S(=O)(NCC)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NOS/c1-4-17-19(3,18)16-11-9-15(10-12-16)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyKJUADWKDRGWMLS-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine 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-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
magnesium bis(4-methylbenzenesulfonate)
CID 12011810
tris(4-methylbenzenesulfonate);praseodymium(3+)
CID 102466575
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930
N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
CID 64638612
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine?
The IUPAC name of N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine (CID 142980228) is N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine.
What is the SMILES notation for N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine?
The canonical SMILES for N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine is C=S(=O)(NCC)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine?
The InChIKey is KJUADWKDRGWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-4-17-19(3,18)16-11-9-15(10-12-16)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine?
N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylidene-[4-(4-methylphenyl)phenyl]-oxo-λ6-sulfanyl]ethanamine is sourced from PubChem (CID 142980228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).