(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C11H15NO2S — CID 66260473

IUPAC(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCc1ccsc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H15NO2S/c1-2-8-4-6-15-10(8)11(14)12-5-3-9(13)7-12/h4,6,9,13H,2-3,5,7H2,1H3/t9-/m1/s1
InChIKeyPMHSVJMEPHLGCD-SECBINFHSA-N
MW225.31 g/mol
LogP1.52
Rot. Bonds2

About (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66260473) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66260473
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCc1ccsc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H15NO2S/c1-2-8-4-6-15-10(8)11(14)12-5-3-9(13)7-12/h4,6,9,13H,2-3,5,7H2,1H3/t9-/m1/s1
InChIKeyPMHSVJMEPHLGCD-SECBINFHSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-(2-Hydroxybutyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 53620365
(3-Ethylthiophen-2-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
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(3-Ethylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779929
(3-Cyclopropylthiophen-2-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779936
(3R*,4R*)-4-ethyl-1-{[5-(ethylthio)-2-thienyl]carbonyl}piperidine-3,4-diol
CID 70724106
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[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 97470427
[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
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2,6-Dimethyl-4-[(3-methyl-2-thienyl)carbonyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66260473) is (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CCc1ccsc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is PMHSVJMEPHLGCD-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-8-4-6-15-10(8)11(14)12-5-3-9(13)7-12/h4,6,9,13H,2-3,5,7H2,1H3/t9-/m1/s1.
What are the key properties of (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 225.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66260473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).