[(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine

C12H20N2S — CID 96604480

IUPAC[(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine
SMILESCCN1CCC[C@H](CN)[C@H]1c1cccs1
InChIInChI=1S/C12H20N2S/c1-2-14-7-3-5-10(9-13)12(14)11-6-4-8-15-11/h4,6,8,10,12H,2-3,5,7,9,13H2,1H3/t10-,12+/m1/s1
InChIKeyDGVHVNVWJNMUDL-PWSUYJOCSA-N
MW224.37 g/mol
LogP2.48
Rot. Bonds3

About [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine

[(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine (PubChem CID 96604480) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine
PubChem CID96604480
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine
SMILESCCN1CCC[C@H](CN)[C@H]1c1cccs1
InChIInChI=1S/C12H20N2S/c1-2-14-7-3-5-10(9-13)12(14)11-6-4-8-15-11/h4,6,8,10,12H,2-3,5,7,9,13H2,1H3/t10-,12+/m1/s1
InChIKeyDGVHVNVWJNMUDL-PWSUYJOCSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,3R)-1-ethyl-2-thiophen-2-ylpyrrolidin-3-yl]acetic acid
CID 96591997
(2-thiophen-2-ylcyclopentyl)methanamine
CID 81010672
2,3-dihydroxy-N-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]benzamide
CID 124625545
[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 81441629
[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 114060907
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752
[2-(4-bromo-3-methylphenyl)-1-ethylazepan-3-yl]methanamine
CID 66479697
6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
CID 133340874
1,3-diethyl-2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111464905
[2-(4-bromo-2-nitrophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 114385755

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine?
The IUPAC name of [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine (CID 96604480) is [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine is CCN1CCC[C@H](CN)[C@H]1c1cccs1.
What is the InChIKey of [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine?
The InChIKey is DGVHVNVWJNMUDL-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-14-7-3-5-10(9-13)12(14)11-6-4-8-15-11/h4,6,8,10,12H,2-3,5,7,9,13H2,1H3/t10-,12+/m1/s1.
What are the key properties of [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine?
[(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-ethyl-2-thiophen-2-ylpiperidin-3-yl]methanamine is sourced from PubChem (CID 96604480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).