[(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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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).