N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide

C14H22N2O2S — CID 107753768

IUPACN-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
SMILESCCC(C)CS(=O)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O2S/c1-3-11(2)10-19(18)9-8-14(17)16-13-7-5-4-6-12(13)15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyNVPIXNYMSZTYEG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.39
Rot. Bonds7

About N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide

N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide (PubChem CID 107753768) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
PubChem CID107753768
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
SMILESCCC(C)CS(=O)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O2S/c1-3-11(2)10-19(18)9-8-14(17)16-13-7-5-4-6-12(13)15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyNVPIXNYMSZTYEG-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.39
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-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
CID 107753823
N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753824
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753806
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(3-amino-4-chlorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753767
N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
CID 107767224
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide (CID 107753768) is N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide is CCC(C)CS(=O)CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide?
The InChIKey is NVPIXNYMSZTYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-11(2)10-19(18)9-8-14(17)16-13-7-5-4-6-12(13)15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide?
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide is sourced from PubChem (CID 107753768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).