6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one

C17H20N2OS2 — CID 118756413

IUPAC6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one
SMILESCSc1ccccc1N1C(=O)CN(Cc2ccsc2)CC1C
InChIInChI=1S/C17H20N2OS2/c1-13-9-18(10-14-7-8-22-12-14)11-17(20)19(13)15-5-3-4-6-16(15)21-2/h3-8,12-13H,9-11H2,1-2H3
InChIKeyJHJSPHHHNCEFQA-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.71
Rot. Bonds4

About 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one

6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one (PubChem CID 118756413) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one
PubChem CID118756413
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Name6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one
SMILESCSc1ccccc1N1C(=O)CN(Cc2ccsc2)CC1C
InChIInChI=1S/C17H20N2OS2/c1-13-9-18(10-14-7-8-22-12-14)11-17(20)19(13)15-5-3-4-6-16(15)21-2/h3-8,12-13H,9-11H2,1-2H3
InChIKeyJHJSPHHHNCEFQA-UHFFFAOYSA-N
XLogP3.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one?
The IUPAC name of 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one (CID 118756413) is 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one is CSc1ccccc1N1C(=O)CN(Cc2ccsc2)CC1C.
What is the InChIKey of 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one?
The InChIKey is JHJSPHHHNCEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-13-9-18(10-14-7-8-22-12-14)11-17(20)19(13)15-5-3-4-6-16(15)21-2/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one?
6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one has a molecular weight of 332.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylsulfanylphenyl)-4-(thiophen-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 118756413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).