[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C16H16FNO2S — CID 111561560

IUPAC[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@@H](O)C2)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-10-8-14(16(20)18-7-6-13(19)9-18)21-15(10)11-2-4-12(17)5-3-11/h2-5,8,13,19H,6-7,9H2,1H3/t13-/m1/s1
InChIKeyJBTCMFNPXWQIKV-CYBMUJFWSA-N
MW305.37 g/mol
LogP3.07
Rot. Bonds2

About [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111561560) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111561560
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@@H](O)C2)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-10-8-14(16(20)18-7-6-13(19)9-18)21-15(10)11-2-4-12(17)5-3-11/h2-5,8,13,19H,6-7,9H2,1H3/t13-/m1/s1
InChIKeyJBTCMFNPXWQIKV-CYBMUJFWSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone;hydrochloride
CID 119934470
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119375812
(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide
CID 95697173
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119647261
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119663842
N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481536
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 167866377
[5-(4-fluorophenyl)-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58582442
(4,5-dimethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900652
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 129160685

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111561560) is [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CC[C@@H](O)C2)sc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is JBTCMFNPXWQIKV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-10-8-14(16(20)18-7-6-13(19)9-18)21-15(10)11-2-4-12(17)5-3-11/h2-5,8,13,19H,6-7,9H2,1H3/t13-/m1/s1.
What are the key properties of [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 305.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111561560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).