(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C9H9Br2NO2S — CID 103745564

IUPAC(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Br)sc1Br)N1CC[C@H](O)C1
InChIInChI=1S/C9H9Br2NO2S/c10-7-3-6(8(11)15-7)9(14)12-2-1-5(13)4-12/h3,5,13H,1-2,4H2/t5-/m0/s1
InChIKeyIJDOHUBHRDXQAZ-YFKPBYRVSA-N
MW355.05 g/mol
LogP2.48
Rot. Bonds1

About (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 103745564) has the molecular formula C9H9Br2NO2S and a molecular weight of 355.05 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID103745564
Molecular FormulaC9H9Br2NO2S
Molecular Weight355.05 g/mol
Exact Mass352.87
IUPAC Name(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Br)sc1Br)N1CC[C@H](O)C1
InChIInChI=1S/C9H9Br2NO2S/c10-7-3-6(8(11)15-7)9(14)12-2-1-5(13)4-12/h3,5,13H,1-2,4H2/t5-/m0/s1
InChIKeyIJDOHUBHRDXQAZ-YFKPBYRVSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.05
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368
(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562967
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618
(2,5-dibromothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806970
1-(2,5-dibromothiophene-3-carbonyl)piperidine-4-carbothioamide
CID 114021251
(2,5-dibromothiophen-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492230
[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 103805957
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107965214
[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 114021489
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 103745564) is (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cc(Br)sc1Br)N1CC[C@H](O)C1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is IJDOHUBHRDXQAZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9Br2NO2S/c10-7-3-6(8(11)15-7)9(14)12-2-1-5(13)4-12/h3,5,13H,1-2,4H2/t5-/m0/s1.
What are the key properties of (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 355.05 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 103745564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).