piperazine;(sulfinatoamino)methane

C5H14N3O2S- — CID 18411420

IUPACpiperazine;(sulfinatoamino)methane
SMILESC1CNCCN1.CNS(=O)[O-]
InChIInChI=1S/C4H10N2.CH5NO2S/c1-2-6-4-3-5-1;1-2-5(3)4/h5-6H,1-4H2;2H,1H3,(H,3,4)/p-1
InChIKeyWEQBNQUBILDZMJ-UHFFFAOYSA-M
MW180.25 g/mol
LogP-1.82
Rot. Bonds1

About piperazine;(sulfinatoamino)methane

piperazine;(sulfinatoamino)methane (PubChem CID 18411420) has the molecular formula C5H14N3O2S- and a molecular weight of 180.25 g/mol. Its IUPAC name is piperazine;(sulfinatoamino)methane.

Molecular Properties

Compound Namepiperazine;(sulfinatoamino)methane
PubChem CID18411420
Molecular FormulaC5H14N3O2S-
Molecular Weight180.25 g/mol
Exact Mass180.08
IUPAC Namepiperazine;(sulfinatoamino)methane
SMILESC1CNCCN1.CNS(=O)[O-]
InChIInChI=1S/C4H10N2.CH5NO2S/c1-2-6-4-3-5-1;1-2-5(3)4/h5-6H,1-4H2;2H,1H3,(H,3,4)/p-1
InChIKeyWEQBNQUBILDZMJ-UHFFFAOYSA-M
XLogP-1.82
TPSA76.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperazine;(sulfinatoamino)methane?
The IUPAC name of piperazine;(sulfinatoamino)methane (CID 18411420) is piperazine;(sulfinatoamino)methane.
What is the SMILES notation for piperazine;(sulfinatoamino)methane?
The canonical SMILES for piperazine;(sulfinatoamino)methane is C1CNCCN1.CNS(=O)[O-].
What is the InChIKey of piperazine;(sulfinatoamino)methane?
The InChIKey is WEQBNQUBILDZMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2.CH5NO2S/c1-2-6-4-3-5-1;1-2-5(3)4/h5-6H,1-4H2;2H,1H3,(H,3,4)/p-1.
What are the key properties of piperazine;(sulfinatoamino)methane?
piperazine;(sulfinatoamino)methane has a molecular weight of 180.25 g/mol, XLogP of -1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;(sulfinatoamino)methane is sourced from PubChem (CID 18411420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).