(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H17NO2S — CID 107224288

IUPAC(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC[C@H](O)C2)s1
InChIInChI=1S/C12H17NO2S/c1-2-10-5-6-11(16-10)12(15)13-7-3-4-9(14)8-13/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyQACZHDUEBSBKBP-VIFPVBQESA-N
MW239.34 g/mol
LogP1.91
Rot. Bonds2

About (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107224288) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107224288
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC[C@H](O)C2)s1
InChIInChI=1S/C12H17NO2S/c1-2-10-5-6-11(16-10)12(15)13-7-3-4-9(14)8-13/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyQACZHDUEBSBKBP-VIFPVBQESA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
N-[5-(3-hydroxypiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 43415885
(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)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 61439390
1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540609

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107224288) is (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC[C@H](O)C2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is QACZHDUEBSBKBP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-10-5-6-11(16-10)12(15)13-7-3-4-9(14)8-13/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 239.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107224288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).