2-amino-N-[(4-sulfanylphenyl)methyl]acetamide

C9H12N2OS — CID 134312272

IUPAC2-amino-N-[(4-sulfanylphenyl)methyl]acetamide
SMILESNCC(=O)NCc1ccc(S)cc1
InChIInChI=1S/C9H12N2OS/c10-5-9(12)11-6-7-1-3-8(13)4-2-7/h1-4,13H,5-6,10H2,(H,11,12)
InChIKeyXVNRUAZNICDQKU-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.55
Rot. Bonds3

About 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide

2-amino-N-[(4-sulfanylphenyl)methyl]acetamide (PubChem CID 134312272) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-sulfanylphenyl)methyl]acetamide
PubChem CID134312272
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2-amino-N-[(4-sulfanylphenyl)methyl]acetamide
SMILESNCC(=O)NCc1ccc(S)cc1
InChIInChI=1S/C9H12N2OS/c10-5-9(12)11-6-7-1-3-8(13)4-2-7/h1-4,13H,5-6,10H2,(H,11,12)
InChIKeyXVNRUAZNICDQKU-UHFFFAOYSA-N
XLogP0.55
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-N-[(4-sulfanylphenyl)methyl]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

4-[[(2-aminoacetyl)amino]methyl]benzoic acid
CID 25270511
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride
CID 161125052
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
CID 119310950
2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641
2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
CID 62073740
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide (CID 134312272) is 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide is NCC(=O)NCc1ccc(S)cc1.
What is the InChIKey of 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide?
The InChIKey is XVNRUAZNICDQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-5-9(12)11-6-7-1-3-8(13)4-2-7/h1-4,13H,5-6,10H2,(H,11,12).
What are the key properties of 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide?
2-amino-N-[(4-sulfanylphenyl)methyl]acetamide has a molecular weight of 196.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-sulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 134312272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).