(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone

C11H16N2OS — CID 62067194

IUPAC(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(N)C2)s1
InChIInChI=1S/C11H16N2OS/c1-2-9-3-4-10(15-9)11(14)13-6-5-8(12)7-13/h3-4,8H,2,5-7,12H2,1H3
InChIKeyYJKVNKQGVGAKNQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.48
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone

(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone (PubChem CID 62067194) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
PubChem CID62067194
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC(N)C2)s1
InChIInChI=1S/C11H16N2OS/c1-2-9-3-4-10(15-9)11(14)13-6-5-8(12)7-13/h3-4,8H,2,5-7,12H2,1H3
InChIKeyYJKVNKQGVGAKNQ-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
[(3R)-3-aminopyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 81468887
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(5-ethylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51942650

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone (CID 62067194) is (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)N2CCC(N)C2)s1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone?
The InChIKey is YJKVNKQGVGAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-9-3-4-10(15-9)11(14)13-6-5-8(12)7-13/h3-4,8H,2,5-7,12H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone?
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 62067194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).