1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

C13H23N3S — CID 113279454

IUPAC1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2cccs2)CC1(C)C
InChIInChI=1S/C13H23N3S/c1-13(2)10-16(7-6-15(13)3)9-11(14)12-5-4-8-17-12/h4-5,8,11H,6-7,9-10,14H2,1-3H3
InChIKeyJTHAPDZJQDKNIR-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.77
Rot. Bonds3

About 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (PubChem CID 113279454) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
PubChem CID113279454
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2cccs2)CC1(C)C
InChIInChI=1S/C13H23N3S/c1-13(2)10-16(7-6-15(13)3)9-11(14)12-5-4-8-17-12/h4-5,8,11H,6-7,9-10,14H2,1-3H3
InChIKeyJTHAPDZJQDKNIR-UHFFFAOYSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

2-(4-propylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287657
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389
2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63610350
2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287841
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 115287909
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
CID 113279390
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 113279450
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine
CID 115287874
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (CID 113279454) is 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is CN1CCN(CC(N)c2cccs2)CC1(C)C.
What is the InChIKey of 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is JTHAPDZJQDKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2)10-16(7-6-15(13)3)9-11(14)12-5-4-8-17-12/h4-5,8,11H,6-7,9-10,14H2,1-3H3.
What are the key properties of 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 113279454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).