tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate

C17H28N2O2S — CID 97175703

IUPACtert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate
SMILESC[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-13(15-9-7-11-22-15)18-12-14-8-5-6-10-19(14)16(20)21-17(2,3)4/h7,9,11,13-14,18H,5-6,8,10,12H2,1-4H3/t13-,14-/m0/s1
InChIKeyHALPSEJXRGAOQU-KBPBESRZSA-N
MW324.49 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 97175703) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate
PubChem CID97175703
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nametert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate
SMILESC[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-13(15-9-7-11-22-15)18-12-14-8-5-6-10-19(14)16(20)21-17(2,3)4/h7,9,11,13-14,18H,5-6,8,10,12H2,1-4H3/t13-,14-/m0/s1
InChIKeyHALPSEJXRGAOQU-KBPBESRZSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
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tert-butyl (2S)-2-[(thiophene-2-carbonylamino)methyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate (CID 97175703) is tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate is C[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is HALPSEJXRGAOQU-KBPBESRZSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13(15-9-7-11-22-15)18-12-14-8-5-6-10-19(14)16(20)21-17(2,3)4/h7,9,11,13-14,18H,5-6,8,10,12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 324.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97175703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).