1-(3-aminophenyl)-N-methylmethanesulfinamide

C8H12N2OS — CID 145497836

IUPAC1-(3-aminophenyl)-N-methylmethanesulfinamide
SMILESCNS(=O)Cc1cccc(N)c1
InChIInChI=1S/C8H12N2OS/c1-10-12(11)6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3
InChIKeyUBNPJQGGUBEAIM-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.65
Rot. Bonds3

About 1-(3-aminophenyl)-N-methylmethanesulfinamide

1-(3-aminophenyl)-N-methylmethanesulfinamide (PubChem CID 145497836) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-methylmethanesulfinamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-methylmethanesulfinamide
PubChem CID145497836
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-(3-aminophenyl)-N-methylmethanesulfinamide
SMILESCNS(=O)Cc1cccc(N)c1
InChIInChI=1S/C8H12N2OS/c1-10-12(11)6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3
InChIKeyUBNPJQGGUBEAIM-UHFFFAOYSA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methylsulfinylmethyl)aniline
CID 54593710
(3-aminophenyl)methanesulfinic acid
CID 19043009
(3-aminophenyl)methanesulfinyl iodide
CID 130291794
1-(3-aminophenyl)-N-(3-methoxypropyl)methanesulfinamide
CID 145497669
3-(2-methoxyethylsulfinylmethyl)aniline
CID 54594034
3-[(2,6-dichlorophenyl)sulfinylmethyl]aniline
CID 113318169
3-[(3-bromophenyl)methylsulfinyl]aniline
CID 81181362
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
3-(chloromethyl)aniline
CID 18329590
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
3-[(2-methylphenyl)methyl]aniline
CID 116925822

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-methylmethanesulfinamide?
The IUPAC name of 1-(3-aminophenyl)-N-methylmethanesulfinamide (CID 145497836) is 1-(3-aminophenyl)-N-methylmethanesulfinamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-methylmethanesulfinamide?
The canonical SMILES for 1-(3-aminophenyl)-N-methylmethanesulfinamide is CNS(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-methylmethanesulfinamide?
The InChIKey is UBNPJQGGUBEAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-12(11)6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-methylmethanesulfinamide?
1-(3-aminophenyl)-N-methylmethanesulfinamide has a molecular weight of 184.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-methylmethanesulfinamide is sourced from PubChem (CID 145497836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).