1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide

C14H22N2O2S — CID 61123119

IUPAC1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide
SMILESCC(C)C1(C)CC(=O)N(C2(C(N)=S)CCCC2)C1=O
InChIInChI=1S/C14H22N2O2S/c1-9(2)13(3)8-10(17)16(12(13)18)14(11(15)19)6-4-5-7-14/h9H,4-8H2,1-3H3,(H2,15,19)
InChIKeyAGKQTJLZGXBHJN-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.01
Rot. Bonds3

About 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide

1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide (PubChem CID 61123119) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide
PubChem CID61123119
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide
SMILESCC(C)C1(C)CC(=O)N(C2(C(N)=S)CCCC2)C1=O
InChIInChI=1S/C14H22N2O2S/c1-9(2)13(3)8-10(17)16(12(13)18)14(11(15)19)6-4-5-7-14/h9H,4-8H2,1-3H3,(H2,15,19)
InChIKeyAGKQTJLZGXBHJN-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.01
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-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carbothioamide
CID 55156740
1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexane-1-carbothioamide
CID 64837060
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
1-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carbothioamide
CID 79875812
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carbothioamide
CID 61124712
1-[(1-hydroxycycloheptyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 65122171
1-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)cyclohexane-1-carbothioamide
CID 61124904
1-(1-hydroxypropan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208884
1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-4-methylcyclohexane-1-carbothioamide
CID 103979554
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
CID 78899614
1-(1-amino-3-methylbutan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 65191993
1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid
CID 61290643

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide (CID 61123119) is 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide is CC(C)C1(C)CC(=O)N(C2(C(N)=S)CCCC2)C1=O.
What is the InChIKey of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
The InChIKey is AGKQTJLZGXBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(2)13(3)8-10(17)16(12(13)18)14(11(15)19)6-4-5-7-14/h9H,4-8H2,1-3H3,(H2,15,19).
What are the key properties of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide?
1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide has a molecular weight of 282.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61123119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).