3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione

C15H17ClN2O2S — CID 43638614

IUPAC3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1cccc(Cl)c1SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H17ClN2O2S/c16-10-6-3-7-11(17)14(10)21-12-8-13(19)18(15(12)20)9-4-1-2-5-9/h3,6-7,9,12H,1-2,4-5,8,17H2
InChIKeyTZNKLYUXKCXHNP-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.08
Rot. Bonds3

About 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione

3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione (PubChem CID 43638614) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
PubChem CID43638614
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
SMILESNc1cccc(Cl)c1SC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H17ClN2O2S/c16-10-6-3-7-11(17)14(10)21-12-8-13(19)18(15(12)20)9-4-1-2-5-9/h3,6-7,9,12H,1-2,4-5,8,17H2
InChIKeyTZNKLYUXKCXHNP-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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Related Compounds

3-[(2-Aminophenyl)thio]-1-ethyl-2,5-pyrrolidinedione
CID 2983197
3-(2-Aminoethylthio)-1-(3-chlorophenyl)azolidine-2,5-dione
CID 2873310
3-(2-Amino-4-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
CID 43638603
N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 56364266
N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 56366868
N-[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72041330
3-(2-Amino-5-fluorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione
CID 79126493
3-(2-Aminophenyl)sulfanyl-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 295589
3-((2-amino-4-chlorophenyl)thio)-N,N-diethylpropanamide
CID 86690994
3-((2-Amino-4-chlorophenyl)thio)-1-(pyrrolidin-1-yl)propan-1-one
CID 86690995
(3R)-3-(2-aminophenyl)sulfanyl-1-ethylpyrrolidine-2,5-dione
CID 2238975
(3S)-3-(2-aminophenyl)sulfanyl-1-ethylpyrrolidine-2,5-dione
CID 2238976

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione (CID 43638614) is 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione is Nc1cccc(Cl)c1SC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is TZNKLYUXKCXHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-10-6-3-7-11(17)14(10)21-12-8-13(19)18(15(12)20)9-4-1-2-5-9/h3,6-7,9,12H,1-2,4-5,8,17H2.
What are the key properties of 3-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione?
3-(2-amino-6-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-(2-amino-6-chlorophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).