2-[(2S)-oxiran-2-yl]ethanesulfonate

C4H7O4S- — CID 154493031

IUPAC2-[(2S)-oxiran-2-yl]ethanesulfonate
SMILESO=S(=O)([O-])CC[C@H]1CO1
InChIInChI=1S/C4H8O4S/c5-9(6,7)2-1-4-3-8-4/h4H,1-3H2,(H,5,6,7)/p-1/t4-/m0/s1
InChIKeyGFGQSUGZPPOCIY-BYPYZUCNSA-M
MW151.16 g/mol
LogP-0.68
Rot. Bonds3

About 2-[(2S)-oxiran-2-yl]ethanesulfonate

2-[(2S)-oxiran-2-yl]ethanesulfonate (PubChem CID 154493031) has the molecular formula C4H7O4S- and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-[(2S)-oxiran-2-yl]ethanesulfonate.

Molecular Properties

Compound Name2-[(2S)-oxiran-2-yl]ethanesulfonate
PubChem CID154493031
Molecular FormulaC4H7O4S-
Molecular Weight151.16 g/mol
Exact Mass151.01
IUPAC Name2-[(2S)-oxiran-2-yl]ethanesulfonate
SMILESO=S(=O)([O-])CC[C@H]1CO1
InChIInChI=1S/C4H8O4S/c5-9(6,7)2-1-4-3-8-4/h4H,1-3H2,(H,5,6,7)/p-1/t4-/m0/s1
InChIKeyGFGQSUGZPPOCIY-BYPYZUCNSA-M
XLogP-0.68
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxiran-2-yl]ethanesulfonate?
The IUPAC name of 2-[(2S)-oxiran-2-yl]ethanesulfonate (CID 154493031) is 2-[(2S)-oxiran-2-yl]ethanesulfonate.
What is the SMILES notation for 2-[(2S)-oxiran-2-yl]ethanesulfonate?
The canonical SMILES for 2-[(2S)-oxiran-2-yl]ethanesulfonate is O=S(=O)([O-])CC[C@H]1CO1.
What is the InChIKey of 2-[(2S)-oxiran-2-yl]ethanesulfonate?
The InChIKey is GFGQSUGZPPOCIY-BYPYZUCNSA-M. The full InChI is InChI=1S/C4H8O4S/c5-9(6,7)2-1-4-3-8-4/h4H,1-3H2,(H,5,6,7)/p-1/t4-/m0/s1.
What are the key properties of 2-[(2S)-oxiran-2-yl]ethanesulfonate?
2-[(2S)-oxiran-2-yl]ethanesulfonate has a molecular weight of 151.16 g/mol, XLogP of -0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxiran-2-yl]ethanesulfonate is sourced from PubChem (CID 154493031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).