N-(4-aminophenyl)-4-methylsulfinylbutanamide

C11H16N2O2S — CID 61288283

IUPACN-(4-aminophenyl)-4-methylsulfinylbutanamide
SMILESCS(=O)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2S/c1-16(15)8-2-3-11(14)13-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKeyYCFUTKMERPRCOK-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.37
Rot. Bonds5

About N-(4-aminophenyl)-4-methylsulfinylbutanamide

N-(4-aminophenyl)-4-methylsulfinylbutanamide (PubChem CID 61288283) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-methylsulfinylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-methylsulfinylbutanamide
PubChem CID61288283
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(4-aminophenyl)-4-methylsulfinylbutanamide
SMILESCS(=O)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2S/c1-16(15)8-2-3-11(14)13-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKeyYCFUTKMERPRCOK-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-pentylsulfinylbutanamide
CID 107753588
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide
CID 63119525
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
CID 70069905
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide
CID 61302979
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
N-(4-aminophenyl)-2-(3-methoxypropylsulfinyl)acetamide
CID 63855766
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-methylsulfinylbutanamide?
The IUPAC name of N-(4-aminophenyl)-4-methylsulfinylbutanamide (CID 61288283) is N-(4-aminophenyl)-4-methylsulfinylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-methylsulfinylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-4-methylsulfinylbutanamide is CS(=O)CCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-methylsulfinylbutanamide?
The InChIKey is YCFUTKMERPRCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(15)8-2-3-11(14)13-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H,13,14).
What are the key properties of N-(4-aminophenyl)-4-methylsulfinylbutanamide?
N-(4-aminophenyl)-4-methylsulfinylbutanamide has a molecular weight of 240.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-methylsulfinylbutanamide is sourced from PubChem (CID 61288283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).