ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine

C6H16N2O2S2 — CID 175002873

IUPACethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine
SMILESC1CNCCN1.CCS(=O)(O)=S
InChIInChI=1S/C4H10N2.C2H6O2S2/c1-2-6-4-3-5-1;1-2-6(3,4)5/h5-6H,1-4H2;2H2,1H3,(H,3,4,5)
InChIKeyCAVCKTLEQGKFEX-UHFFFAOYSA-N
MW212.34 g/mol
LogP-0.60
Rot. Bonds1

About ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine

ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine (PubChem CID 175002873) has the molecular formula C6H16N2O2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine.

Molecular Properties

Compound Nameethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine
PubChem CID175002873
Molecular FormulaC6H16N2O2S2
Molecular Weight212.34 g/mol
Exact Mass212.07
IUPAC Nameethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine
SMILESC1CNCCN1.CCS(=O)(O)=S
InChIInChI=1S/C4H10N2.C2H6O2S2/c1-2-6-4-3-5-1;1-2-6(3,4)5/h5-6H,1-4H2;2H2,1H3,(H,3,4,5)
InChIKeyCAVCKTLEQGKFEX-UHFFFAOYSA-N
XLogP-0.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane-1,2-disulfonic acid;piperazine
CID 174840116
ethanesulfonic acid;piperazine;propane-1,2,3-triol
CID 174867794
ethanesulfonic acid;1-ethylpiperazine
CID 18427549
sodium;ethanesulfonic acid;morpholine;chloride
CID 175170062
imidazolidine;sulfuric acid
CID 70477093
azane;ethanol;sulfurothioic O-acid
CID 175527325
imidazolidine;methanamine;sulfuric acid
CID 174596844
aziridine;propane
CID 160500673
ethyl trifluoromethanesulfonate;piperazine
CID 161097127
methanesulfonic acid;piperidin-4-one
CID 155024087
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
pentane;silver;sulfurothioic O-acid
CID 174495617

Frequently Asked Questions

What is the IUPAC name of ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine?
The IUPAC name of ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine (CID 175002873) is ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine.
What is the SMILES notation for ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine?
The canonical SMILES for ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine is C1CNCCN1.CCS(=O)(O)=S.
What is the InChIKey of ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine?
The InChIKey is CAVCKTLEQGKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H6O2S2/c1-2-6-4-3-5-1;1-2-6(3,4)5/h5-6H,1-4H2;2H2,1H3,(H,3,4,5).
What are the key properties of ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine?
ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine has a molecular weight of 212.34 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;piperazine is sourced from PubChem (CID 175002873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).