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

C11H17N3OS — CID 64680050

IUPAC4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)c2ccsc2)CC1=O
InChIInChI=1S/C11H17N3OS/c1-13-3-4-14(7-11(13)15)10(6-12)9-2-5-16-8-9/h2,5,8,10H,3-4,6-7,12H2,1H3
InChIKeyJIPCYRCFIGDBLW-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.52
Rot. Bonds3

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

4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one (PubChem CID 64680050) 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)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
PubChem CID64680050
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)c2ccsc2)CC1=O
InChIInChI=1S/C11H17N3OS/c1-13-3-4-14(7-11(13)15)10(6-12)9-2-5-16-8-9/h2,5,8,10H,3-4,6-7,12H2,1H3
InChIKeyJIPCYRCFIGDBLW-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one (CID 64680050) is 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one is CN1CCN(C(CN)c2ccsc2)CC1=O.
What is the InChIKey of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
The InChIKey is JIPCYRCFIGDBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-3-4-14(7-11(13)15)10(6-12)9-2-5-16-8-9/h2,5,8,10H,3-4,6-7,12H2,1H3.
What are the key properties of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64680050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).