5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one

C6H12N2O2S — CID 123965553

IUPAC5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one
SMILESCSC1NC(=O)CN(C)C1O
InChIInChI=1S/C6H12N2O2S/c1-8-3-4(9)7-5(11-2)6(8)10/h5-6,10H,3H2,1-2H3,(H,7,9)
InChIKeyAXHLMSHBMMHAGV-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.94
Rot. Bonds1

About 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one

5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one (PubChem CID 123965553) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one
PubChem CID123965553
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one
SMILESCSC1NC(=O)CN(C)C1O
InChIInChI=1S/C6H12N2O2S/c1-8-3-4(9)7-5(11-2)6(8)10/h5-6,10H,3H2,1-2H3,(H,7,9)
InChIKeyAXHLMSHBMMHAGV-UHFFFAOYSA-N
XLogP-0.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one?
The IUPAC name of 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one (CID 123965553) is 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one.
What is the SMILES notation for 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one?
The canonical SMILES for 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one is CSC1NC(=O)CN(C)C1O.
What is the InChIKey of 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one?
The InChIKey is AXHLMSHBMMHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-8-3-4(9)7-5(11-2)6(8)10/h5-6,10H,3H2,1-2H3,(H,7,9).
What are the key properties of 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one?
5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one has a molecular weight of 176.24 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one is sourced from PubChem (CID 123965553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).