4-ethyl-1-(1-sulfanylethyl)piperazin-2-one

C8H16N2OS — CID 147733047

IUPAC4-ethyl-1-(1-sulfanylethyl)piperazin-2-one
SMILESCCN1CCN(C(C)S)C(=O)C1
InChIInChI=1S/C8H16N2OS/c1-3-9-4-5-10(7(2)12)8(11)6-9/h7,12H,3-6H2,1-2H3
InChIKeyGYUWKBQIZLTQPF-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.43
Rot. Bonds2

About 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one

4-ethyl-1-(1-sulfanylethyl)piperazin-2-one (PubChem CID 147733047) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-1-(1-sulfanylethyl)piperazin-2-one
PubChem CID147733047
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name4-ethyl-1-(1-sulfanylethyl)piperazin-2-one
SMILESCCN1CCN(C(C)S)C(=O)C1
InChIInChI=1S/C8H16N2OS/c1-3-9-4-5-10(7(2)12)8(11)6-9/h7,12H,3-6H2,1-2H3
InChIKeyGYUWKBQIZLTQPF-UHFFFAOYSA-N
XLogP0.43
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-(disulfanyl)ethyl]-4-ethylpiperazin-2-one
CID 138608025
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
1-(cyclopropylmethyl)-4-ethylpiperazin-2-one
CID 170709327
1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
CID 156741773
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one
CID 123733558
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-tert-butyl-4-ethylpiperazine-2,6-dione
CID 59551373
1-butan-2-ylaziridin-2-one
CID 23556405
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
1-(3-aminophenyl)-4-ethylpiperazin-2-one
CID 67479009
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one?
The IUPAC name of 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one (CID 147733047) is 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one.
What is the SMILES notation for 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one?
The canonical SMILES for 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one is CCN1CCN(C(C)S)C(=O)C1.
What is the InChIKey of 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one?
The InChIKey is GYUWKBQIZLTQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-3-9-4-5-10(7(2)12)8(11)6-9/h7,12H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one?
4-ethyl-1-(1-sulfanylethyl)piperazin-2-one has a molecular weight of 188.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-sulfanylethyl)piperazin-2-one is sourced from PubChem (CID 147733047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).