2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide

C16H18N2O2S — CID 62955894

IUPAC2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O2S/c17-15(21)11-7-4-8-13(11)18-14(19)9-12(16(18)20)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H2,17,21)
InChIKeyRZSDMRHVZDBLHG-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.98
Rot. Bonds3

About 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide

2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide (PubChem CID 62955894) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide
PubChem CID62955894
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O2S/c17-15(21)11-7-4-8-13(11)18-14(19)9-12(16(18)20)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H2,17,21)
InChIKeyRZSDMRHVZDBLHG-UHFFFAOYSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
N-cyclopentyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3236085
2,5-Pyrrolidinedione, 1-(3-(diethylamino)propyl)-3-phenyl-, monohydrochloride
CID 3057901
2,5-Pyrrolidinedione, 1-(5-(diethylamino)pentyl)-3-phenyl-, monohydrochloride
CID 3057903
2,5-Pyrrolidinedione, 1-cyclohexyl-3-phenyl-
CID 3071965
1-[3-(Diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 3057902
(1R,11S)-2-(2-phenylacetyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199286
N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide
CID 71956252
1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 71956316
2-Phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione
CID 102277835
1-(2-Aminoethyl)-3-phenylpyrrolidine-2,5-dione
CID 12383176
(2R)-1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carbothioamide
CID 174329000

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide (CID 62955894) is 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide is NC(=S)C1CCCC1N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
The InChIKey is RZSDMRHVZDBLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-15(21)11-7-4-8-13(11)18-14(19)9-12(16(18)20)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H2,17,21).
What are the key properties of 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide has a molecular weight of 302.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62955894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).