(3S)-oxolane-3-sulfonic acid

C4H8O4S — CID 151710513

IUPAC(3S)-oxolane-3-sulfonic acid
SMILESO=S(=O)(O)[C@H]1CCOC1
InChIInChI=1S/C4H8O4S/c5-9(6,7)4-1-2-8-3-4/h4H,1-3H2,(H,5,6,7)/t4-/m0/s1
InChIKeyRGLPGBKOHFXMHR-BYPYZUCNSA-N
MW152.17 g/mol
LogP-0.34
Rot. Bonds1

About (3S)-oxolane-3-sulfonic acid

(3S)-oxolane-3-sulfonic acid (PubChem CID 151710513) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is (3S)-oxolane-3-sulfonic acid.

Molecular Properties

Compound Name(3S)-oxolane-3-sulfonic acid
PubChem CID151710513
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name(3S)-oxolane-3-sulfonic acid
SMILESO=S(=O)(O)[C@H]1CCOC1
InChIInChI=1S/C4H8O4S/c5-9(6,7)4-1-2-8-3-4/h4H,1-3H2,(H,5,6,7)/t4-/m0/s1
InChIKeyRGLPGBKOHFXMHR-BYPYZUCNSA-N
XLogP-0.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.34
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

oxolane-3-sulfonic acid;hydrochloride
CID 174788312
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
(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
5-chloro-N-(oxolan-3-ylsulfonyl)thiophene-3-carboxamide
CID 136534838
2-(oxolan-3-ylsulfonyl)-3-phenylpropanoic acid
CID 63558168

Frequently Asked Questions

What is the IUPAC name of (3S)-oxolane-3-sulfonic acid?
The IUPAC name of (3S)-oxolane-3-sulfonic acid (CID 151710513) is (3S)-oxolane-3-sulfonic acid.
What is the SMILES notation for (3S)-oxolane-3-sulfonic acid?
The canonical SMILES for (3S)-oxolane-3-sulfonic acid is O=S(=O)(O)[C@H]1CCOC1.
What is the InChIKey of (3S)-oxolane-3-sulfonic acid?
The InChIKey is RGLPGBKOHFXMHR-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8O4S/c5-9(6,7)4-1-2-8-3-4/h4H,1-3H2,(H,5,6,7)/t4-/m0/s1.
What are the key properties of (3S)-oxolane-3-sulfonic acid?
(3S)-oxolane-3-sulfonic acid has a molecular weight of 152.17 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-oxolane-3-sulfonic acid is sourced from PubChem (CID 151710513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).