2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine

C13H22N2S — CID 16642687

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
SMILESC[C@@H]1CCC[C@H](C)N1C(CN)c1cccs1
InChIInChI=1S/C13H22N2S/c1-10-5-3-6-11(2)15(10)12(9-14)13-7-4-8-16-13/h4,7-8,10-12H,3,5-6,9,14H2,1-2H3/t10-,11+,12?
InChIKeyVTSYJYZZOKKKPD-FOSCPWQOSA-N
MW238.40 g/mol
LogP3.01
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine (PubChem CID 16642687) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
PubChem CID16642687
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
SMILESC[C@@H]1CCC[C@H](C)N1C(CN)c1cccs1
InChIInChI=1S/C13H22N2S/c1-10-5-3-6-11(2)15(10)12(9-14)13-7-4-8-16-13/h4,7-8,10-12H,3,5-6,9,14H2,1-2H3/t10-,11+,12?
InChIKeyVTSYJYZZOKKKPD-FOSCPWQOSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-(2,6-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 82041284
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673
2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797177
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-pyrrol-1-yl-2-thiophen-2-ylethanamine
CID 55262597
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
[1-(1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
CID 115311578
2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine (CID 16642687) is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine is C[C@@H]1CCC[C@H](C)N1C(CN)c1cccs1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine?
The InChIKey is VTSYJYZZOKKKPD-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-5-3-6-11(2)15(10)12(9-14)13-7-4-8-16-13/h4,7-8,10-12H,3,5-6,9,14H2,1-2H3/t10-,11+,12?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine?
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 16642687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).