2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline

C15H17NOS — CID 143467625

IUPAC2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline
SMILESC=S(=O)(Nc1ccccc1C)c1ccccc1C
InChIInChI=1S/C15H17NOS/c1-12-8-4-6-10-14(12)16-18(3,17)15-11-7-5-9-13(15)2/h4-11H,3H2,1-2H3,(H,16,17)
InChIKeyAFQUKEBEPRRYMU-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline

2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline (PubChem CID 143467625) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline
PubChem CID143467625
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline
SMILESC=S(=O)(Nc1ccccc1C)c1ccccc1C
InChIInChI=1S/C15H17NOS/c1-12-8-4-6-10-14(12)16-18(3,17)15-11-7-5-9-13(15)2/h4-11H,3H2,1-2H3,(H,16,17)
InChIKeyAFQUKEBEPRRYMU-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
(2-methylphenyl)sulfamic acid;hydrochloride
CID 174841873
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
2-methylbenzenesulfonamide
CID 6924
2-(methylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62144229
2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 68803257
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
N,N'-bis(2-methylphenyl)-1-nitromethanedisulfonamide
CID 90121515
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
2-methylbenzenesulfonic acid;bis(N-methylmethanamine);hydrochloride
CID 173034750
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline?
The IUPAC name of 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline (CID 143467625) is 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline.
What is the SMILES notation for 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline?
The canonical SMILES for 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline is C=S(=O)(Nc1ccccc1C)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline?
The InChIKey is AFQUKEBEPRRYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-8-4-6-10-14(12)16-18(3,17)15-11-7-5-9-13(15)2/h4-11H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline?
2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline has a molecular weight of 259.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline is sourced from PubChem (CID 143467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).