2-(2-amino-5-methylphenyl)sulfanylacetamide

C9H12N2OS — CID 79142056

IUPAC2-(2-amino-5-methylphenyl)sulfanylacetamide
SMILESCc1ccc(N)c(SCC(N)=O)c1
InChIInChI=1S/C9H12N2OS/c1-6-2-3-7(10)8(4-6)13-5-9(11)12/h2-4H,5,10H2,1H3,(H2,11,12)
InChIKeyGRIBSCZNMUUZHC-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.15
Rot. Bonds3

About 2-(2-amino-5-methylphenyl)sulfanylacetamide

2-(2-amino-5-methylphenyl)sulfanylacetamide (PubChem CID 79142056) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanylacetamide
PubChem CID79142056
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2-(2-amino-5-methylphenyl)sulfanylacetamide
SMILESCc1ccc(N)c(SCC(N)=O)c1
InChIInChI=1S/C9H12N2OS/c1-6-2-3-7(10)8(4-6)13-5-9(11)12/h2-4H,5,10H2,1H3,(H2,11,12)
InChIKeyGRIBSCZNMUUZHC-UHFFFAOYSA-N
XLogP1.15
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
CID 79142549
2-(2-amino-5-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79142290
2-(2-amino-5-methylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 79142739
2-(2-amino-5-methylphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 79143140
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide
CID 79128287
N-[2-(2-amino-5-methylphenyl)sulfanylethyl]acetamide
CID 79142236
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanylacetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanylacetamide (CID 79142056) is 2-(2-amino-5-methylphenyl)sulfanylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanylacetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanylacetamide is Cc1ccc(N)c(SCC(N)=O)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanylacetamide?
The InChIKey is GRIBSCZNMUUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-2-3-7(10)8(4-6)13-5-9(11)12/h2-4H,5,10H2,1H3,(H2,11,12).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanylacetamide?
2-(2-amino-5-methylphenyl)sulfanylacetamide has a molecular weight of 196.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 79142056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).