(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine

C13H23N3S — CID 51862509

IUPAC(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
SMILESCCN1CCN([C@H](c2cccs2)[C@H](C)N)CC1
InChIInChI=1S/C13H23N3S/c1-3-15-6-8-16(9-7-15)13(11(2)14)12-5-4-10-17-12/h4-5,10-11,13H,3,6-9,14H2,1-2H3/t11-,13-/m0/s1
InChIKeyCDEBOFKFOMBSGS-AAEUAGOBSA-N
MW253.41 g/mol
LogP1.77
Rot. Bonds4

About (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine

(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 51862509) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
PubChem CID51862509
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
SMILESCCN1CCN([C@H](c2cccs2)[C@H](C)N)CC1
InChIInChI=1S/C13H23N3S/c1-3-15-6-8-16(9-7-15)13(11(2)14)12-5-4-10-17-12/h4-5,10-11,13H,3,6-9,14H2,1-2H3/t11-,13-/m0/s1
InChIKeyCDEBOFKFOMBSGS-AAEUAGOBSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51613857
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
CID 62886596
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 28821030
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
CID 55022240
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
CID 6710505
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 6710461
4-chloro-N-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30622327
1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine
CID 55022921
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110760
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine (CID 51862509) is (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine is CCN1CCN([C@H](c2cccs2)[C@H](C)N)CC1.
What is the InChIKey of (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is CDEBOFKFOMBSGS-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-15-6-8-16(9-7-15)13(11(2)14)12-5-4-10-17-12/h4-5,10-11,13H,3,6-9,14H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 51862509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).