thiomorpholine-4-sulfonic acid

C4H9NO3S2 — CID 68633206

IUPACthiomorpholine-4-sulfonic acid
SMILESO=S(=O)(O)N1CCSCC1
InChIInChI=1S/C4H9NO3S2/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)
InChIKeyVLHJTGABQWCQQU-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.16
Rot. Bonds1

About thiomorpholine-4-sulfonic acid

thiomorpholine-4-sulfonic acid (PubChem CID 68633206) has the molecular formula C4H9NO3S2 and a molecular weight of 183.25 g/mol. Its IUPAC name is thiomorpholine-4-sulfonic acid.

Molecular Properties

Compound Namethiomorpholine-4-sulfonic acid
PubChem CID68633206
Molecular FormulaC4H9NO3S2
Molecular Weight183.25 g/mol
Exact Mass183.00
IUPAC Namethiomorpholine-4-sulfonic acid
SMILESO=S(=O)(O)N1CCSCC1
InChIInChI=1S/C4H9NO3S2/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)
InChIKeyVLHJTGABQWCQQU-UHFFFAOYSA-N
XLogP-0.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.16
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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Frequently Asked Questions

What is the IUPAC name of thiomorpholine-4-sulfonic acid?
The IUPAC name of thiomorpholine-4-sulfonic acid (CID 68633206) is thiomorpholine-4-sulfonic acid.
What is the SMILES notation for thiomorpholine-4-sulfonic acid?
The canonical SMILES for thiomorpholine-4-sulfonic acid is O=S(=O)(O)N1CCSCC1.
What is the InChIKey of thiomorpholine-4-sulfonic acid?
The InChIKey is VLHJTGABQWCQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S2/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8).
What are the key properties of thiomorpholine-4-sulfonic acid?
thiomorpholine-4-sulfonic acid has a molecular weight of 183.25 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholine-4-sulfonic acid is sourced from PubChem (CID 68633206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).