piperazine-1-sulfinate

C4H9N2O2S- — CID 57034737

IUPACpiperazine-1-sulfinate
SMILESO=S([O-])N1CCNCC1
InChIInChI=1S/C4H10N2O2S/c7-9(8)6-3-1-5-2-4-6/h5H,1-4H2,(H,7,8)/p-1
InChIKeyZEQROPBATTXRBA-UHFFFAOYSA-M
MW149.19 g/mol
LogP-1.31
Rot. Bonds1

About piperazine-1-sulfinate

piperazine-1-sulfinate (PubChem CID 57034737) has the molecular formula C4H9N2O2S- and a molecular weight of 149.19 g/mol. Its IUPAC name is piperazine-1-sulfinate.

Molecular Properties

Compound Namepiperazine-1-sulfinate
PubChem CID57034737
Molecular FormulaC4H9N2O2S-
Molecular Weight149.19 g/mol
Exact Mass149.04
IUPAC Namepiperazine-1-sulfinate
SMILESO=S([O-])N1CCNCC1
InChIInChI=1S/C4H10N2O2S/c7-9(8)6-3-1-5-2-4-6/h5H,1-4H2,(H,7,8)/p-1
InChIKeyZEQROPBATTXRBA-UHFFFAOYSA-M
XLogP-1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, sulfate (1:?)
CID 3014216
N,N-dimethylpiperazine-1-sulfonamide
CID 1094966
1-Piperazinesulfonamide
CID 11252198
N,N-dimethylpiperazine-1-sulfonamide hydrochloride
CID 22031678
Piperazine-1-sulfonamide hydrochloride
CID 67467256
N-ethylpiperazine-1-sulfonamide hydrochloride
CID 154729877
N,N-diethylpiperazine-1-sulfonamide
CID 9167360
(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
N-ethyl-N-methylpiperazine-1-sulfonamide hydrochloride
CID 119961572
Piperazine-1-sulfonyl fluoride hydrochloride
CID 138987571
Thiopiperazine
CID 18533336
Piperazinesulfonic acid
CID 21903592

Frequently Asked Questions

What is the IUPAC name of piperazine-1-sulfinate?
The IUPAC name of piperazine-1-sulfinate (CID 57034737) is piperazine-1-sulfinate.
What is the SMILES notation for piperazine-1-sulfinate?
The canonical SMILES for piperazine-1-sulfinate is O=S([O-])N1CCNCC1.
What is the InChIKey of piperazine-1-sulfinate?
The InChIKey is ZEQROPBATTXRBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O2S/c7-9(8)6-3-1-5-2-4-6/h5H,1-4H2,(H,7,8)/p-1.
What are the key properties of piperazine-1-sulfinate?
piperazine-1-sulfinate has a molecular weight of 149.19 g/mol, XLogP of -1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-sulfinate is sourced from PubChem (CID 57034737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).