2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine

C11H19N3S — CID 23470351

IUPAC2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine
SMILESCc1csc(N2CCN(CCN)CC2)c1
InChIInChI=1S/C11H19N3S/c1-10-8-11(15-9-10)14-6-4-13(3-2-12)5-7-14/h8-9H,2-7,12H2,1H3
InChIKeyUABPPLPQKZRIQR-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.14
Rot. Bonds3

About 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine

2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine (PubChem CID 23470351) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine
PubChem CID23470351
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine
SMILESCc1csc(N2CCN(CCN)CC2)c1
InChIInChI=1S/C11H19N3S/c1-10-8-11(15-9-10)14-6-4-13(3-2-12)5-7-14/h8-9H,2-7,12H2,1H3
InChIKeyUABPPLPQKZRIQR-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine (CID 23470351) is 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine is Cc1csc(N2CCN(CCN)CC2)c1.
What is the InChIKey of 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine?
The InChIKey is UABPPLPQKZRIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10-8-11(15-9-10)14-6-4-13(3-2-12)5-7-14/h8-9H,2-7,12H2,1H3.
What are the key properties of 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine?
2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylthiophen-2-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 23470351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).