4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one

C11H17N3OS — CID 63595243

IUPAC4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(CN)c1ccsc1
InChIInChI=1S/C11H17N3OS/c1-8-11(15)13-3-4-14(8)10(6-12)9-2-5-16-7-9/h2,5,7-8,10H,3-4,6,12H2,1H3,(H,13,15)
InChIKeyRYQRJXDYFZEFHO-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.57
Rot. Bonds3

About 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one

4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one (PubChem CID 63595243) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one
PubChem CID63595243
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(CN)c1ccsc1
InChIInChI=1S/C11H17N3OS/c1-8-11(15)13-3-4-14(8)10(6-12)9-2-5-16-7-9/h2,5,7-8,10H,3-4,6,12H2,1H3,(H,13,15)
InChIKeyRYQRJXDYFZEFHO-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one (CID 63595243) is 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(CN)c1ccsc1.
What is the InChIKey of 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one?
The InChIKey is RYQRJXDYFZEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-11(15)13-3-4-14(8)10(6-12)9-2-5-16-7-9/h2,5,7-8,10H,3-4,6,12H2,1H3,(H,13,15).
What are the key properties of 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one?
4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63595243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).