pyrrolidine-1-sulfonic acid;hydrochloride

C4H10ClNO3S — CID 174453164

IUPACpyrrolidine-1-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)N1CCCC1
InChIInChI=1S/C4H9NO3S.ClH/c6-9(7,8)5-3-1-2-4-5;/h1-4H2,(H,6,7,8);1H
InChIKeyRBYDBHMOCXHGKE-UHFFFAOYSA-N
MW187.65 g/mol
LogP0.31
Rot. Bonds1

About pyrrolidine-1-sulfonic acid;hydrochloride

pyrrolidine-1-sulfonic acid;hydrochloride (PubChem CID 174453164) has the molecular formula C4H10ClNO3S and a molecular weight of 187.65 g/mol. Its IUPAC name is pyrrolidine-1-sulfonic acid;hydrochloride.

Molecular Properties

Compound Namepyrrolidine-1-sulfonic acid;hydrochloride
PubChem CID174453164
Molecular FormulaC4H10ClNO3S
Molecular Weight187.65 g/mol
Exact Mass187.01
IUPAC Namepyrrolidine-1-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)N1CCCC1
InChIInChI=1S/C4H9NO3S.ClH/c6-9(7,8)5-3-1-2-4-5;/h1-4H2,(H,6,7,8);1H
InChIKeyRBYDBHMOCXHGKE-UHFFFAOYSA-N
XLogP0.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-1-sulfonic acid;hydrochloride?
The IUPAC name of pyrrolidine-1-sulfonic acid;hydrochloride (CID 174453164) is pyrrolidine-1-sulfonic acid;hydrochloride.
What is the SMILES notation for pyrrolidine-1-sulfonic acid;hydrochloride?
The canonical SMILES for pyrrolidine-1-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)N1CCCC1.
What is the InChIKey of pyrrolidine-1-sulfonic acid;hydrochloride?
The InChIKey is RBYDBHMOCXHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S.ClH/c6-9(7,8)5-3-1-2-4-5;/h1-4H2,(H,6,7,8);1H.
What are the key properties of pyrrolidine-1-sulfonic acid;hydrochloride?
pyrrolidine-1-sulfonic acid;hydrochloride has a molecular weight of 187.65 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-sulfonic acid;hydrochloride is sourced from PubChem (CID 174453164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).