(3S)-oxane-3-sulfonyl fluoride

C5H9FO3S — CID 124710027

IUPAC(3S)-oxane-3-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1CCCOC1
InChIInChI=1S/C5H9FO3S/c6-10(7,8)5-2-1-3-9-4-5/h5H,1-4H2/t5-/m0/s1
InChIKeyRCYAIMFXDYTGKW-YFKPBYRVSA-N
MW168.19 g/mol
LogP0.46
Rot. Bonds1

About (3S)-oxane-3-sulfonyl fluoride

(3S)-oxane-3-sulfonyl fluoride (PubChem CID 124710027) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is (3S)-oxane-3-sulfonyl fluoride.

Molecular Properties

Compound Name(3S)-oxane-3-sulfonyl fluoride
PubChem CID124710027
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name(3S)-oxane-3-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1CCCOC1
InChIInChI=1S/C5H9FO3S/c6-10(7,8)5-2-1-3-9-4-5/h5H,1-4H2/t5-/m0/s1
InChIKeyRCYAIMFXDYTGKW-YFKPBYRVSA-N
XLogP0.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-oxane-3-sulfonyl fluoride?
The IUPAC name of (3S)-oxane-3-sulfonyl fluoride (CID 124710027) is (3S)-oxane-3-sulfonyl fluoride.
What is the SMILES notation for (3S)-oxane-3-sulfonyl fluoride?
The canonical SMILES for (3S)-oxane-3-sulfonyl fluoride is O=S(=O)(F)[C@H]1CCCOC1.
What is the InChIKey of (3S)-oxane-3-sulfonyl fluoride?
The InChIKey is RCYAIMFXDYTGKW-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-10(7,8)5-2-1-3-9-4-5/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-oxane-3-sulfonyl fluoride?
(3S)-oxane-3-sulfonyl fluoride has a molecular weight of 168.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-oxane-3-sulfonyl fluoride is sourced from PubChem (CID 124710027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).