2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

C11H19N3S — CID 3261684

IUPAC2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
SMILESCN1CCN(C(CN)c2cccs2)CC1
InChIInChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3
InChIKeyQHKYTFGXTUYNGA-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.00
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine (PubChem CID 3261684) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
PubChem CID3261684
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
SMILESCN1CCN(C(CN)c2cccs2)CC1
InChIInChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3
InChIKeyQHKYTFGXTUYNGA-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine (CID 3261684) is 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine is CN1CCN(C(CN)c2cccs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
The InChIKey is QHKYTFGXTUYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine?
2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 3261684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).