1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one

C13H16N2O3S — CID 79830626

IUPAC1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one
SMILESCOc1cc(N)ccc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C13H16N2O3S/c1-18-10-7-9(14)4-5-11(10)19-8-13(17)15-6-2-3-12(15)16/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeyMBLJWFKQUFZMHR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one

1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one (PubChem CID 79830626) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one
PubChem CID79830626
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one
SMILESCOc1cc(N)ccc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C13H16N2O3S/c1-18-10-7-9(14)4-5-11(10)19-8-13(17)15-6-2-3-12(15)16/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeyMBLJWFKQUFZMHR-UHFFFAOYSA-N
XLogP1.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one 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

1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
CID 79822950
1-[2-(5-amino-2-chlorophenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79134547
1-[2-(2-amino-5-fluorophenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79143623
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 79827123
1-[2-(4-amino-2-methoxyphenyl)sulfanylethyl]pyrrolidine-2,5-dione
CID 79823482
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 79836514
1-[2-(2-amino-3-methylphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79146924
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
1-[2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 4845758
1-[2-(4-amino-3-methylphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79148173
1-[2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 115979938
1-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 5187410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one (CID 79830626) is 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one is COc1cc(N)ccc1SCC(=O)N1CCCC1=O.
What is the InChIKey of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is MBLJWFKQUFZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-10-7-9(14)4-5-11(10)19-8-13(17)15-6-2-3-12(15)16/h4-5,7H,2-3,6,8,14H2,1H3.
What are the key properties of 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one?
1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 79830626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).