4-(2-methylsulfanylpropanoyl)piperazin-2-one

C8H14N2O2S — CID 126998947

IUPAC4-(2-methylsulfanylpropanoyl)piperazin-2-one
SMILESCSC(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H14N2O2S/c1-6(13-2)8(12)10-4-3-9-7(11)5-10/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyFRAJWRGRWHPSEJ-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.30
Rot. Bonds2

About 4-(2-methylsulfanylpropanoyl)piperazin-2-one

4-(2-methylsulfanylpropanoyl)piperazin-2-one (PubChem CID 126998947) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-(2-methylsulfanylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methylsulfanylpropanoyl)piperazin-2-one
PubChem CID126998947
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-(2-methylsulfanylpropanoyl)piperazin-2-one
SMILESCSC(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H14N2O2S/c1-6(13-2)8(12)10-4-3-9-7(11)5-10/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyFRAJWRGRWHPSEJ-UHFFFAOYSA-N
XLogP-0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpentanoyl)piperazin-2-one
CID 42930413
4-acetylpiperazin-2-one
CID 12744517
4-[(2S)-2-aminobutanoyl]piperazin-2-one
CID 79025324
N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
CID 60636396
4-(5-amino-2-methylpentanoyl)piperazin-2-one
CID 104683524
N-[4-methylsulfanyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]ethanesulfonamide
CID 62849678
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-(2-aminohexanoyl)piperazin-2-one
CID 60853843
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
(7S)-1-[(2R)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195538
(7R)-1-[(2S)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195535
4-but-2-enoylpiperazin-2-one
CID 76872122

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylpropanoyl)piperazin-2-one?
The IUPAC name of 4-(2-methylsulfanylpropanoyl)piperazin-2-one (CID 126998947) is 4-(2-methylsulfanylpropanoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methylsulfanylpropanoyl)piperazin-2-one?
The canonical SMILES for 4-(2-methylsulfanylpropanoyl)piperazin-2-one is CSC(C)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-methylsulfanylpropanoyl)piperazin-2-one?
The InChIKey is FRAJWRGRWHPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(13-2)8(12)10-4-3-9-7(11)5-10/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 4-(2-methylsulfanylpropanoyl)piperazin-2-one?
4-(2-methylsulfanylpropanoyl)piperazin-2-one has a molecular weight of 202.28 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylpropanoyl)piperazin-2-one is sourced from PubChem (CID 126998947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).