3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione

C15H17ClN2O2S — CID 79130862

IUPAC3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1ccc(SC2CC(=O)N(C3CCCC3)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c16-11-7-10(5-6-12(11)17)21-13-8-14(19)18(15(13)20)9-3-1-2-4-9/h5-7,9,13H,1-4,8,17H2
InChIKeyNPPVXAJGAPKBPL-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.08
Rot. Bonds3

About 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione

3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione (PubChem CID 79130862) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
PubChem CID79130862
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1ccc(SC2CC(=O)N(C3CCCC3)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c16-11-7-10(5-6-12(11)17)21-13-8-14(19)18(15(13)20)9-3-1-2-4-9/h5-7,9,13H,1-4,8,17H2
InChIKeyNPPVXAJGAPKBPL-UHFFFAOYSA-N
XLogP3.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione (CID 79130862) is 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione is Nc1ccc(SC2CC(=O)N(C3CCCC3)C2=O)cc1Cl.
What is the InChIKey of 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is NPPVXAJGAPKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-11-7-10(5-6-12(11)17)21-13-8-14(19)18(15(13)20)9-3-1-2-4-9/h5-7,9,13H,1-4,8,17H2.
What are the key properties of 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione has a molecular weight of 324.83 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 79130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).