2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone

C6H12N2O2S — CID 129304677

IUPAC2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone
SMILESO=C(CO)N1CCN(S)CC1
InChIInChI=1S/C6H12N2O2S/c9-5-6(10)7-1-3-8(11)4-2-7/h9,11H,1-5H2
InChIKeyGUULYNRRRYRTEJ-UHFFFAOYSA-N
MW176.24 g/mol
LogP-1.03
Rot. Bonds1

About 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone

2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone (PubChem CID 129304677) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone
PubChem CID129304677
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone
SMILESO=C(CO)N1CCN(S)CC1
InChIInChI=1S/C6H12N2O2S/c9-5-6(10)7-1-3-8(11)4-2-7/h9,11H,1-5H2
InChIKeyGUULYNRRRYRTEJ-UHFFFAOYSA-N
XLogP-1.03
TPSA43.78 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 ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
2-hydroxy-1-[4-(sulfanylmethyl)piperazin-1-yl]ethanone
CID 145342591
1-(4-aminopiperazin-1-yl)-2-hydroxyethanone
CID 123367646
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 130608896
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2,2,2-trifluoro-1-(4-sulfanylpiperazin-1-yl)ethanone
CID 144646918
1-[2-[4-[4-(2-hydroxyacetyl)piperazine-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]propan-2-one
CID 177358053
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone (CID 129304677) is 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone is O=C(CO)N1CCN(S)CC1.
What is the InChIKey of 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone?
The InChIKey is GUULYNRRRYRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c9-5-6(10)7-1-3-8(11)4-2-7/h9,11H,1-5H2.
What are the key properties of 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone?
2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone has a molecular weight of 176.24 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-sulfanylpiperazin-1-yl)ethanone is sourced from PubChem (CID 129304677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).