2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide

C13H20N2OS — CID 114236440

IUPAC2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCN(C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2OS/c1-15(7-4-8-17-2)13(16)10-11-5-3-6-12(14)9-11/h3,5-6,9H,4,7-8,10,14H2,1-2H3
InChIKeyNSZYTAOZWHIHNS-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.02
Rot. Bonds6

About 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide

2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide (PubChem CID 114236440) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide
PubChem CID114236440
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCN(C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2OS/c1-15(7-4-8-17-2)13(16)10-11-5-3-6-12(14)9-11/h3,5-6,9H,4,7-8,10,14H2,1-2H3
InChIKeyNSZYTAOZWHIHNS-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide 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

2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
2-(3-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 62498364
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334
S-ethyl 2-(3-aminophenyl)ethanethioate
CID 21201588
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
CID 62498199

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide (CID 114236440) is 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide is CSCCCN(C)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide?
The InChIKey is NSZYTAOZWHIHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(7-4-8-17-2)13(16)10-11-5-3-6-12(14)9-11/h3,5-6,9H,4,7-8,10,14H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide?
2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide has a molecular weight of 252.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-(3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 114236440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).