2-(3-aminophenyl)sulfanylacetamide

C8H10N2OS — CID 19300065

IUPAC2-(3-aminophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cccc(N)c1
InChIInChI=1S/C8H10N2OS/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyWNWTUAYPCLTAHW-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.85
Rot. Bonds3

About 2-(3-aminophenyl)sulfanylacetamide

2-(3-aminophenyl)sulfanylacetamide (PubChem CID 19300065) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanylacetamide
PubChem CID19300065
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-(3-aminophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cccc(N)c1
InChIInChI=1S/C8H10N2OS/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyWNWTUAYPCLTAHW-UHFFFAOYSA-N
XLogP0.85
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)sulfanylacetamide 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-chlorophenyl)sulfanylacetamide
CID 62647381
3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
CID 142545208
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
CID 79133966
2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
CID 18894747
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
benzyl 2-(3-aminophenyl)sulfanylacetate
CID 69441434
2-(3-aminophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 79133789
2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
2-(3-aminophenyl)sulfanyl-N,N-dicyclohexylacetamide
CID 18894930
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18894676

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanylacetamide (CID 19300065) is 2-(3-aminophenyl)sulfanylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanylacetamide is NC(=O)CSc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanylacetamide?
The InChIKey is WNWTUAYPCLTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5,9H2,(H2,10,11).
What are the key properties of 2-(3-aminophenyl)sulfanylacetamide?
2-(3-aminophenyl)sulfanylacetamide has a molecular weight of 182.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanylacetamide is sourced from PubChem (CID 19300065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).