thiomorpholine-4-sulfonyl fluoride

C4H8FNO2S2 — CID 135564417

IUPACthiomorpholine-4-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCSCC1
InChIInChI=1S/C4H8FNO2S2/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChIKeyMLSDFXWQOQQZAF-UHFFFAOYSA-N
MW185.24 g/mol
LogP0.25
Rot. Bonds1

About thiomorpholine-4-sulfonyl fluoride

thiomorpholine-4-sulfonyl fluoride (PubChem CID 135564417) has the molecular formula C4H8FNO2S2 and a molecular weight of 185.24 g/mol. Its IUPAC name is thiomorpholine-4-sulfonyl fluoride.

Molecular Properties

Compound Namethiomorpholine-4-sulfonyl fluoride
PubChem CID135564417
Molecular FormulaC4H8FNO2S2
Molecular Weight185.24 g/mol
Exact Mass185.00
IUPAC Namethiomorpholine-4-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCSCC1
InChIInChI=1S/C4H8FNO2S2/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChIKeyMLSDFXWQOQQZAF-UHFFFAOYSA-N
XLogP0.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiomorpholine-4-sulfonyl fluoride?
The IUPAC name of thiomorpholine-4-sulfonyl fluoride (CID 135564417) is thiomorpholine-4-sulfonyl fluoride.
What is the SMILES notation for thiomorpholine-4-sulfonyl fluoride?
The canonical SMILES for thiomorpholine-4-sulfonyl fluoride is O=S(=O)(F)N1CCSCC1.
What is the InChIKey of thiomorpholine-4-sulfonyl fluoride?
The InChIKey is MLSDFXWQOQQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2S2/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2.
What are the key properties of thiomorpholine-4-sulfonyl fluoride?
thiomorpholine-4-sulfonyl fluoride has a molecular weight of 185.24 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine-4-sulfonyl fluoride is sourced from PubChem (CID 135564417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).