2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide

C11H15N3O3S — CID 114231835

IUPAC2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide
SMILESCc1ccc(N)cc1NC(=O)CS(=O)CC(N)=O
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-8(12)4-9(7)14-11(16)6-18(17)5-10(13)15/h2-4H,5-6,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJWRBUCFJBPKFGG-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.25
Rot. Bonds5

About 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide

2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide (PubChem CID 114231835) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide.

Molecular Properties

Compound Name2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide
PubChem CID114231835
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide
SMILESCc1ccc(N)cc1NC(=O)CS(=O)CC(N)=O
InChIInChI=1S/C11H15N3O3S/c1-7-2-3-8(12)4-9(7)14-11(16)6-18(17)5-10(13)15/h2-4H,5-6,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJWRBUCFJBPKFGG-UHFFFAOYSA-N
XLogP-0.25
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
N-[2-(5-amino-2-methylanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 120569254
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
CID 60883875
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide?
The IUPAC name of 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide (CID 114231835) is 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide.
What is the SMILES notation for 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide?
The canonical SMILES for 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide is Cc1ccc(N)cc1NC(=O)CS(=O)CC(N)=O.
What is the InChIKey of 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide?
The InChIKey is JWRBUCFJBPKFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-2-3-8(12)4-9(7)14-11(16)6-18(17)5-10(13)15/h2-4H,5-6,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide?
2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide has a molecular weight of 269.33 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide is sourced from PubChem (CID 114231835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).