2-piperazin-1-ylpropane-2-sulfinate;hydrochloride

C7H16ClN2O2S- — CID 174672488

IUPAC2-piperazin-1-ylpropane-2-sulfinate;hydrochloride
SMILESCC(C)(N1CCNCC1)S(=O)[O-].Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-7(2,12(10)11)9-5-3-8-4-6-9;/h8H,3-6H2,1-2H3,(H,10,11);1H/p-1
InChIKeyMWOZFBDAWHRMCG-UHFFFAOYSA-M
MW227.74 g/mol
LogP-0.07
Rot. Bonds2

About 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride

2-piperazin-1-ylpropane-2-sulfinate;hydrochloride (PubChem CID 174672488) has the molecular formula C7H16ClN2O2S- and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylpropane-2-sulfinate;hydrochloride
PubChem CID174672488
Molecular FormulaC7H16ClN2O2S-
Molecular Weight227.74 g/mol
Exact Mass227.06
IUPAC Name2-piperazin-1-ylpropane-2-sulfinate;hydrochloride
SMILESCC(C)(N1CCNCC1)S(=O)[O-].Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-7(2,12(10)11)9-5-3-8-4-6-9;/h8H,3-6H2,1-2H3,(H,10,11);1H/p-1
InChIKeyMWOZFBDAWHRMCG-UHFFFAOYSA-M
XLogP-0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
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 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride?
The IUPAC name of 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride (CID 174672488) is 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride is CC(C)(N1CCNCC1)S(=O)[O-].Cl.
What is the InChIKey of 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride?
The InChIKey is MWOZFBDAWHRMCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-7(2,12(10)11)9-5-3-8-4-6-9;/h8H,3-6H2,1-2H3,(H,10,11);1H/p-1.
What are the key properties of 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride?
2-piperazin-1-ylpropane-2-sulfinate;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpropane-2-sulfinate;hydrochloride is sourced from PubChem (CID 174672488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).