N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide

C11H16N2O3S — CID 61288850

IUPACN-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
SMILESCOCCS(=O)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O3S/c1-16-5-6-17(15)8-11(14)13-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyCHYCAPIBLIAHID-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.60
Rot. Bonds6

About N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide

N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide (PubChem CID 61288850) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
PubChem CID61288850
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
SMILESCOCCS(=O)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O3S/c1-16-5-6-17(15)8-11(14)13-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyCHYCAPIBLIAHID-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(4-aminophenyl)-2-(3-methoxypropylsulfinyl)acetamide
CID 63855766
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61287840
N-(6-amino-1,3-benzothiazol-2-yl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288036
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
CID 119327284
N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
CID 61303387
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066
3-(2-methoxyethylsulfinylmethyl)aniline
CID 54594034
methyl 4-(3-aminoanilino)-2,2-dimethyl-4-oxobutanoate
CID 13456459

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide (CID 61288850) is N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide is COCCS(=O)CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
The InChIKey is CHYCAPIBLIAHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-5-6-17(15)8-11(14)13-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8,12H2,1H3,(H,13,14).
What are the key properties of N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide is sourced from PubChem (CID 61288850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).