(4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone

C10H11Br2NO2S — CID 43390810

IUPAC(4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCCC(O)C1
InChIInChI=1S/C10H11Br2NO2S/c11-7-4-8(16-9(7)12)10(15)13-3-1-2-6(14)5-13/h4,6,14H,1-3,5H2
InChIKeyYOWSCUDBFUILLI-UHFFFAOYSA-N
MW369.08 g/mol
LogP2.87
Rot. Bonds1

About (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone

(4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43390810) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43390810
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC Name(4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCCC(O)C1
InChIInChI=1S/C10H11Br2NO2S/c11-7-4-8(16-9(7)12)10(15)13-3-1-2-6(14)5-13/h4,6,14H,1-3,5H2
InChIKeyYOWSCUDBFUILLI-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 43390810) is (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1cc(Br)c(Br)s1)N1CCCC(O)C1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YOWSCUDBFUILLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2S/c11-7-4-8(16-9(7)12)10(15)13-3-1-2-6(14)5-13/h4,6,14H,1-3,5H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
(4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 369.08 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43390810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).