N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline

C19H24N2OS — CID 20661029

IUPACN-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccccc2N/N=C(\S(C)=O)C(C)(C)C)cc1
InChIInChI=1S/C19H24N2OS/c1-14-10-12-15(13-11-14)16-8-6-7-9-17(16)20-21-18(23(5)22)19(2,3)4/h6-13,20H,1-5H3/b21-18-
InChIKeyOIDODPGIHILCBG-UZYVYHOESA-N
MW328.48 g/mol
LogP4.81
Rot. Bonds3

About N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline

N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline (PubChem CID 20661029) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline
PubChem CID20661029
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccccc2N/N=C(\S(C)=O)C(C)(C)C)cc1
InChIInChI=1S/C19H24N2OS/c1-14-10-12-15(13-11-14)16-8-6-7-9-17(16)20-21-18(23(5)22)19(2,3)4/h6-13,20H,1-5H3/b21-18-
InChIKeyOIDODPGIHILCBG-UZYVYHOESA-N
XLogP4.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline?
The IUPAC name of N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline (CID 20661029) is N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline.
What is the SMILES notation for N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline?
The canonical SMILES for N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline is Cc1ccc(-c2ccccc2N/N=C(\S(C)=O)C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline?
The InChIKey is OIDODPGIHILCBG-UZYVYHOESA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14-10-12-15(13-11-14)16-8-6-7-9-17(16)20-21-18(23(5)22)19(2,3)4/h6-13,20H,1-5H3/b21-18-.
What are the key properties of N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline?
N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline has a molecular weight of 328.48 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,2-dimethyl-1-methylsulfinylpropylidene)amino]-2-(4-methylphenyl)aniline is sourced from PubChem (CID 20661029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).