N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide

C13H20N2O2S — CID 61302835

IUPACN-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
SMILESCCCS(=O)C(C)C(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C13H20N2O2S/c1-4-7-18(17)10(3)13(16)15-12-8-11(14)6-5-9(12)2/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyRXYHTMGGNQKQEE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.06
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide

N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide (PubChem CID 61302835) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
PubChem CID61302835
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
SMILESCCCS(=O)C(C)C(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C13H20N2O2S/c1-4-7-18(17)10(3)13(16)15-12-8-11(14)6-5-9(12)2/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyRXYHTMGGNQKQEE-UHFFFAOYSA-N
XLogP2.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide
CID 63119626
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(5-amino-2-fluorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63659415
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223
N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79843396
N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide
CID 107753615
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
N-(5-amino-2-methylphenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985357

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide (CID 61302835) is N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide is CCCS(=O)C(C)C(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide?
The InChIKey is RXYHTMGGNQKQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-7-18(17)10(3)13(16)15-12-8-11(14)6-5-9(12)2/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide?
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide is sourced from PubChem (CID 61302835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).