5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one

C13H16N2OS — CID 82383297

IUPAC5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one
SMILESCC1NC(c2ccc3c(c2)SCC3)CNC1=O
InChIInChI=1S/C13H16N2OS/c1-8-13(16)14-7-11(15-8)10-3-2-9-4-5-17-12(9)6-10/h2-3,6,8,11,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyBJVWWPGNYGWTEF-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.48
Rot. Bonds1

About 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one

5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one (PubChem CID 82383297) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one
PubChem CID82383297
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one
SMILESCC1NC(c2ccc3c(c2)SCC3)CNC1=O
InChIInChI=1S/C13H16N2OS/c1-8-13(16)14-7-11(15-8)10-3-2-9-4-5-17-12(9)6-10/h2-3,6,8,11,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyBJVWWPGNYGWTEF-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one?
The IUPAC name of 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one (CID 82383297) is 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one is CC1NC(c2ccc3c(c2)SCC3)CNC1=O.
What is the InChIKey of 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one?
The InChIKey is BJVWWPGNYGWTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-13(16)14-7-11(15-8)10-3-2-9-4-5-17-12(9)6-10/h2-3,6,8,11,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one?
5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one has a molecular weight of 248.35 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 82383297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).