2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone

C11H17N3OS — CID 82511218

IUPAC2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone
SMILESCNC(C(=O)N1CCNCC1)c1ccsc1
InChIInChI=1S/C11H17N3OS/c1-12-10(9-2-7-16-8-9)11(15)14-5-3-13-4-6-14/h2,7-8,10,12-13H,3-6H2,1H3
InChIKeyJSHIIWNDJPNCQM-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.44
Rot. Bonds3

About 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone

2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone (PubChem CID 82511218) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone
PubChem CID82511218
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone
SMILESCNC(C(=O)N1CCNCC1)c1ccsc1
InChIInChI=1S/C11H17N3OS/c1-12-10(9-2-7-16-8-9)11(15)14-5-3-13-4-6-14/h2,7-8,10,12-13H,3-6H2,1H3
InChIKeyJSHIIWNDJPNCQM-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone?
The IUPAC name of 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone (CID 82511218) is 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone.
What is the SMILES notation for 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone?
The canonical SMILES for 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone is CNC(C(=O)N1CCNCC1)c1ccsc1.
What is the InChIKey of 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone?
The InChIKey is JSHIIWNDJPNCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-12-10(9-2-7-16-8-9)11(15)14-5-3-13-4-6-14/h2,7-8,10,12-13H,3-6H2,1H3.
What are the key properties of 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone?
2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone has a molecular weight of 239.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone is sourced from PubChem (CID 82511218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).