N-(2-aminophenyl)-2-butylsulfinylpropanamide

C13H20N2O2S — CID 61287849

IUPACN-(2-aminophenyl)-2-butylsulfinylpropanamide
SMILESCCCCS(=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C13H20N2O2S/c1-3-4-9-18(17)10(2)13(16)15-12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeySFARHYSJMROBJZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.14
Rot. Bonds6

About N-(2-aminophenyl)-2-butylsulfinylpropanamide

N-(2-aminophenyl)-2-butylsulfinylpropanamide (PubChem CID 61287849) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-butylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-butylsulfinylpropanamide
PubChem CID61287849
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-aminophenyl)-2-butylsulfinylpropanamide
SMILESCCCCS(=O)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C13H20N2O2S/c1-3-4-9-18(17)10(2)13(16)15-12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeySFARHYSJMROBJZ-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.14
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-ethylsulfinylpropanamide
CID 61303245
N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide
CID 107753615
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
CID 61302211
1-(2-aminophenyl)-3-nonylurea
CID 177454724
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
CID 61288025

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-butylsulfinylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2-butylsulfinylpropanamide (CID 61287849) is N-(2-aminophenyl)-2-butylsulfinylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-butylsulfinylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2-butylsulfinylpropanamide is CCCCS(=O)C(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-butylsulfinylpropanamide?
The InChIKey is SFARHYSJMROBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-4-9-18(17)10(2)13(16)15-12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminophenyl)-2-butylsulfinylpropanamide?
N-(2-aminophenyl)-2-butylsulfinylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-butylsulfinylpropanamide is sourced from PubChem (CID 61287849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).