3-piperazin-2-ylthiolan-2-one

C8H14N2OS — CID 166785001

IUPAC3-piperazin-2-ylthiolan-2-one
SMILESO=C1SCCC1C1CNCCN1
InChIInChI=1S/C8H14N2OS/c11-8-6(1-4-12-8)7-5-9-2-3-10-7/h6-7,9-10H,1-5H2
InChIKeyZGQOZPZUHKKZRP-UHFFFAOYSA-N
MW186.28 g/mol
LogP-0.17
Rot. Bonds1

About 3-piperazin-2-ylthiolan-2-one

3-piperazin-2-ylthiolan-2-one (PubChem CID 166785001) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-piperazin-2-ylthiolan-2-one.

Molecular Properties

Compound Name3-piperazin-2-ylthiolan-2-one
PubChem CID166785001
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-piperazin-2-ylthiolan-2-one
SMILESO=C1SCCC1C1CNCCN1
InChIInChI=1S/C8H14N2OS/c11-8-6(1-4-12-8)7-5-9-2-3-10-7/h6-7,9-10H,1-5H2
InChIKeyZGQOZPZUHKKZRP-UHFFFAOYSA-N
XLogP-0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyrrolidin-2-ylpiperazine
CID 163488411
1,2,3,4a,5,6,8,8a-octahydrothiopyrano[3,4-b]pyridin-4-one
CID 83914557
[(3S)-2-oxothiolan-3-yl]azanium
CID 7057930
(2-oxothiolan-3-yl)azanium
CID 46398697
2-cyclohexylpiperazine
CID 13489550
2-cyclohexylpiperazine;piperazine
CID 22400875
2-cyclohexylpiperazine;hydrochloride
CID 156699610
2-[8-(1,4,7-triazonan-2-yl)-1,5,9-triazacyclododec-2-yl]-1,4,7,10-tetrazacyclododecane
CID 126552740
2,3,4a,5,6,8,9,9a-octahydro-1H-thiepino[4,5-b]pyridin-4-one
CID 83915233
2-(1-methylpyrrolidin-2-yl)piperazine
CID 174931045
2-piperazin-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 70529851
bis(nickel(2+));2-(1,4,8,11-tetrazacyclotetradec-2-yl)-1,4,8,11-tetrazacyclotetradecane
CID 6395739

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-2-ylthiolan-2-one?
The IUPAC name of 3-piperazin-2-ylthiolan-2-one (CID 166785001) is 3-piperazin-2-ylthiolan-2-one.
What is the SMILES notation for 3-piperazin-2-ylthiolan-2-one?
The canonical SMILES for 3-piperazin-2-ylthiolan-2-one is O=C1SCCC1C1CNCCN1.
What is the InChIKey of 3-piperazin-2-ylthiolan-2-one?
The InChIKey is ZGQOZPZUHKKZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c11-8-6(1-4-12-8)7-5-9-2-3-10-7/h6-7,9-10H,1-5H2.
What are the key properties of 3-piperazin-2-ylthiolan-2-one?
3-piperazin-2-ylthiolan-2-one has a molecular weight of 186.28 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-2-ylthiolan-2-one is sourced from PubChem (CID 166785001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).