4-(N,S-dimethylsulfonimidoyl)aniline

C8H12N2OS — CID 59674088

IUPAC4-(N,S-dimethylsulfonimidoyl)aniline
SMILESCN=S(C)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H12N2OS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKeyGRPIHZOOGIQPSE-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.36
Rot. Bonds1

About 4-(N,S-dimethylsulfonimidoyl)aniline

4-(N,S-dimethylsulfonimidoyl)aniline (PubChem CID 59674088) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(N,S-dimethylsulfonimidoyl)aniline.

Molecular Properties

Compound Name4-(N,S-dimethylsulfonimidoyl)aniline
PubChem CID59674088
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(N,S-dimethylsulfonimidoyl)aniline
SMILESCN=S(C)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H12N2OS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKeyGRPIHZOOGIQPSE-UHFFFAOYSA-N
XLogP1.36
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(N,S-dimethylsulfonimidoyl)aniline?
The IUPAC name of 4-(N,S-dimethylsulfonimidoyl)aniline (CID 59674088) is 4-(N,S-dimethylsulfonimidoyl)aniline.
What is the SMILES notation for 4-(N,S-dimethylsulfonimidoyl)aniline?
The canonical SMILES for 4-(N,S-dimethylsulfonimidoyl)aniline is CN=S(C)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(N,S-dimethylsulfonimidoyl)aniline?
The InChIKey is GRPIHZOOGIQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3.
What are the key properties of 4-(N,S-dimethylsulfonimidoyl)aniline?
4-(N,S-dimethylsulfonimidoyl)aniline has a molecular weight of 184.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,S-dimethylsulfonimidoyl)aniline is sourced from PubChem (CID 59674088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).