N-(2-aminophenyl)-2-ethylsulfinylpropanamide

C11H16N2O2S — CID 61303245

IUPACN-(2-aminophenyl)-2-ethylsulfinylpropanamide
SMILESCCS(=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C11H16N2O2S/c1-3-16(15)8(2)11(14)13-10-7-5-4-6-9(10)12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeySZKRDBZTHQYUCO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.36
Rot. Bonds4

About N-(2-aminophenyl)-2-ethylsulfinylpropanamide

N-(2-aminophenyl)-2-ethylsulfinylpropanamide (PubChem CID 61303245) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-ethylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-ethylsulfinylpropanamide
PubChem CID61303245
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(2-aminophenyl)-2-ethylsulfinylpropanamide
SMILESCCS(=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C11H16N2O2S/c1-3-16(15)8(2)11(14)13-10-7-5-4-6-9(10)12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeySZKRDBZTHQYUCO-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.36
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-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
CID 61302211
N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
CID 61288025
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
CID 43127203
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-ethylsulfinylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2-ethylsulfinylpropanamide (CID 61303245) is N-(2-aminophenyl)-2-ethylsulfinylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-ethylsulfinylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2-ethylsulfinylpropanamide is CCS(=O)C(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-ethylsulfinylpropanamide?
The InChIKey is SZKRDBZTHQYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-16(15)8(2)11(14)13-10-7-5-4-6-9(10)12/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminophenyl)-2-ethylsulfinylpropanamide?
N-(2-aminophenyl)-2-ethylsulfinylpropanamide has a molecular weight of 240.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-ethylsulfinylpropanamide is sourced from PubChem (CID 61303245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).