2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine

C14H23BrN2S — CID 102839059

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCc1sc(C(CN)N2CCCC(C)C2C)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-9-5-4-6-17(10(9)2)13(8-16)14-7-12(15)11(3)18-14/h7,9-10,13H,4-6,8,16H2,1-3H3
InChIKeyYHOURSOTGWYZPH-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine

2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 102839059) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID102839059
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
SMILESCc1sc(C(CN)N2CCCC(C)C2C)cc1Br
InChIInChI=1S/C14H23BrN2S/c1-9-5-4-6-17(10(9)2)13(8-16)14-7-12(15)11(3)18-14/h7,9-10,13H,4-6,8,16H2,1-3H3
InChIKeyYHOURSOTGWYZPH-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine (CID 102839059) is 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is Cc1sc(C(CN)N2CCCC(C)C2C)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is YHOURSOTGWYZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-9-5-4-6-17(10(9)2)13(8-16)14-7-12(15)11(3)18-14/h7,9-10,13H,4-6,8,16H2,1-3H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine?
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 331.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 102839059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).