thiomorpholine-4-sulfonyl chloride

C4H8ClNO2S2 — CID 43210669

IUPACthiomorpholine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCSCC1
InChIInChI=1S/C4H8ClNO2S2/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChIKeyXLBDBSFJOORSOY-UHFFFAOYSA-N
MW201.70 g/mol
LogP0.52
Rot. Bonds1

About thiomorpholine-4-sulfonyl chloride

thiomorpholine-4-sulfonyl chloride (PubChem CID 43210669) has the molecular formula C4H8ClNO2S2 and a molecular weight of 201.70 g/mol. Its IUPAC name is thiomorpholine-4-sulfonyl chloride.

Molecular Properties

Compound Namethiomorpholine-4-sulfonyl chloride
PubChem CID43210669
Molecular FormulaC4H8ClNO2S2
Molecular Weight201.70 g/mol
Exact Mass200.97
IUPAC Namethiomorpholine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCSCC1
InChIInChI=1S/C4H8ClNO2S2/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChIKeyXLBDBSFJOORSOY-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiomorpholine-4-sulfonyl chloride?
The IUPAC name of thiomorpholine-4-sulfonyl chloride (CID 43210669) is thiomorpholine-4-sulfonyl chloride.
What is the SMILES notation for thiomorpholine-4-sulfonyl chloride?
The canonical SMILES for thiomorpholine-4-sulfonyl chloride is O=S(=O)(Cl)N1CCSCC1.
What is the InChIKey of thiomorpholine-4-sulfonyl chloride?
The InChIKey is XLBDBSFJOORSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2S2/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2.
What are the key properties of thiomorpholine-4-sulfonyl chloride?
thiomorpholine-4-sulfonyl chloride has a molecular weight of 201.70 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine-4-sulfonyl chloride is sourced from PubChem (CID 43210669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).