oxolane-3-sulfonic acid;hydrochloride

C4H9ClO4S — CID 174788312

IUPACoxolane-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C1CCOC1
InChIInChI=1S/C4H8O4S.ClH/c5-9(6,7)4-1-2-8-3-4;/h4H,1-3H2,(H,5,6,7);1H
InChIKeyYAYYLJSDTMIZTM-UHFFFAOYSA-N
MW188.63 g/mol
LogP0.08
Rot. Bonds1

About oxolane-3-sulfonic acid;hydrochloride

oxolane-3-sulfonic acid;hydrochloride (PubChem CID 174788312) has the molecular formula C4H9ClO4S and a molecular weight of 188.63 g/mol. Its IUPAC name is oxolane-3-sulfonic acid;hydrochloride.

Molecular Properties

Compound Nameoxolane-3-sulfonic acid;hydrochloride
PubChem CID174788312
Molecular FormulaC4H9ClO4S
Molecular Weight188.63 g/mol
Exact Mass187.99
IUPAC Nameoxolane-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C1CCOC1
InChIInChI=1S/C4H8O4S.ClH/c5-9(6,7)4-1-2-8-3-4;/h4H,1-3H2,(H,5,6,7);1H
InChIKeyYAYYLJSDTMIZTM-UHFFFAOYSA-N
XLogP0.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-oxolane-3-sulfonic acid
CID 151710513
oxocane-3-sulfonic acid
CID 58892609
cyclopropanesulfonic acid
CID 10419166
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
cyclopentanesulfonic acid
CID 15707015
4-bromo-N-(oxolan-3-ylsulfonyl)benzamide
CID 154780941
cyclohexanesulfonic acid;sulfane;dihydrochloride
CID 174267441
(3R)-oxolan-3-ol;hydrochloride
CID 101043602
(4-hydroxyoxan-3-yl) hydrogen sulfate
CID 58899224
3-cyclobutyl-N-(oxolan-3-ylsulfonyl)propanamide
CID 136513042
6-amino-3-chloro-2-(oxolan-3-ylsulfonyl)phenol
CID 118540723

Frequently Asked Questions

What is the IUPAC name of oxolane-3-sulfonic acid;hydrochloride?
The IUPAC name of oxolane-3-sulfonic acid;hydrochloride (CID 174788312) is oxolane-3-sulfonic acid;hydrochloride.
What is the SMILES notation for oxolane-3-sulfonic acid;hydrochloride?
The canonical SMILES for oxolane-3-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)C1CCOC1.
What is the InChIKey of oxolane-3-sulfonic acid;hydrochloride?
The InChIKey is YAYYLJSDTMIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S.ClH/c5-9(6,7)4-1-2-8-3-4;/h4H,1-3H2,(H,5,6,7);1H.
What are the key properties of oxolane-3-sulfonic acid;hydrochloride?
oxolane-3-sulfonic acid;hydrochloride has a molecular weight of 188.63 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-3-sulfonic acid;hydrochloride is sourced from PubChem (CID 174788312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).