(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H19NO2S — CID 112627456

IUPAC(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(C(C)O)C2)s1
InChIInChI=1S/C13H19NO2S/c1-3-11-4-5-12(17-11)13(16)14-7-6-10(8-14)9(2)15/h4-5,9-10,15H,3,6-8H2,1-2H3
InChIKeyGTWVDTRQUQHBKI-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds3

About (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112627456) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112627456
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(C(C)O)C2)s1
InChIInChI=1S/C13H19NO2S/c1-3-11-4-5-12(17-11)13(16)14-7-6-10(8-14)9(2)15/h4-5,9-10,15H,3,6-8H2,1-2H3
InChIKeyGTWVDTRQUQHBKI-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
(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
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317957
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107034180

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112627456) is (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(C(C)O)C2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GTWVDTRQUQHBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-11-4-5-12(17-11)13(16)14-7-6-10(8-14)9(2)15/h4-5,9-10,15H,3,6-8H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 253.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112627456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).