1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide

C15H24N2OS — CID 80589331

IUPAC1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCCC2C2CCCC2)CCC1
InChIInChI=1S/C15H24N2OS/c16-13(19)15(8-4-9-15)14(18)17-10-3-7-12(17)11-5-1-2-6-11/h11-12H,1-10H2,(H2,16,19)
InChIKeyKIBQOYRJJJFKQT-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.62
Rot. Bonds3

About 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide

1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide (PubChem CID 80589331) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide.

Molecular Properties

Compound Name1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
PubChem CID80589331
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCCC2C2CCCC2)CCC1
InChIInChI=1S/C15H24N2OS/c16-13(19)15(8-4-9-15)14(18)17-10-3-7-12(17)11-5-1-2-6-11/h11-12H,1-10H2,(H2,16,19)
InChIKeyKIBQOYRJJJFKQT-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)cyclobutane-1-carbothioamide
CID 80589326
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77065268
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carbothioamide
CID 113335705
ethyl 1-(1-carbamothioylcyclobutanecarbonyl)pyrrolidine-2-carboxylate
CID 80590095
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)cyclopentane-1-carbothioamide
CID 81199759
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopropane-1-carbothioamide
CID 115559910
(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122988
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-(4-cyclopropylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589211
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
CID 130991613
[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 115439257

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide?
The IUPAC name of 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide (CID 80589331) is 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide.
What is the SMILES notation for 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide?
The canonical SMILES for 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide is NC(=S)C1(C(=O)N2CCCC2C2CCCC2)CCC1.
What is the InChIKey of 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide?
The InChIKey is KIBQOYRJJJFKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c16-13(19)15(8-4-9-15)14(18)17-10-3-7-12(17)11-5-1-2-6-11/h11-12H,1-10H2,(H2,16,19).
What are the key properties of 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide?
1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide has a molecular weight of 280.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide is sourced from PubChem (CID 80589331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).