3-methyl-3-thiophen-2-ylpiperazin-2-one

C9H12N2OS — CID 14501227

IUPAC3-methyl-3-thiophen-2-ylpiperazin-2-one
SMILESCC1(c2cccs2)NCCNC1=O
InChIInChI=1S/C9H12N2OS/c1-9(7-3-2-6-13-7)8(12)10-4-5-11-9/h2-3,6,11H,4-5H2,1H3,(H,10,12)
InChIKeySGMFROJGSXUXKY-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.68
Rot. Bonds1

About 3-methyl-3-thiophen-2-ylpiperazin-2-one

3-methyl-3-thiophen-2-ylpiperazin-2-one (PubChem CID 14501227) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 3-methyl-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3-methyl-3-thiophen-2-ylpiperazin-2-one
PubChem CID14501227
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name3-methyl-3-thiophen-2-ylpiperazin-2-one
SMILESCC1(c2cccs2)NCCNC1=O
InChIInChI=1S/C9H12N2OS/c1-9(7-3-2-6-13-7)8(12)10-4-5-11-9/h2-3,6,11H,4-5H2,1H3,(H,10,12)
InChIKeySGMFROJGSXUXKY-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 3-methyl-3-thiophen-2-ylpiperazin-2-one (CID 14501227) is 3-methyl-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 3-methyl-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 3-methyl-3-thiophen-2-ylpiperazin-2-one is CC1(c2cccs2)NCCNC1=O.
What is the InChIKey of 3-methyl-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is SGMFROJGSXUXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-9(7-3-2-6-13-7)8(12)10-4-5-11-9/h2-3,6,11H,4-5H2,1H3,(H,10,12).
What are the key properties of 3-methyl-3-thiophen-2-ylpiperazin-2-one?
3-methyl-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 196.28 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 14501227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).