carbamoyl thiomorpholine-4-sulfonate

C5H10N2O4S2 — CID 87684899

IUPACcarbamoyl thiomorpholine-4-sulfonate
SMILESNC(=O)OS(=O)(=O)N1CCSCC1
InChIInChI=1S/C5H10N2O4S2/c6-5(8)11-13(9,10)7-1-3-12-4-2-7/h1-4H2,(H2,6,8)
InChIKeyBYZDHARWINQWNJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.62
Rot. Bonds2

About carbamoyl thiomorpholine-4-sulfonate

carbamoyl thiomorpholine-4-sulfonate (PubChem CID 87684899) has the molecular formula C5H10N2O4S2 and a molecular weight of 226.28 g/mol. Its IUPAC name is carbamoyl thiomorpholine-4-sulfonate.

Molecular Properties

Compound Namecarbamoyl thiomorpholine-4-sulfonate
PubChem CID87684899
Molecular FormulaC5H10N2O4S2
Molecular Weight226.28 g/mol
Exact Mass226.01
IUPAC Namecarbamoyl thiomorpholine-4-sulfonate
SMILESNC(=O)OS(=O)(=O)N1CCSCC1
InChIInChI=1S/C5H10N2O4S2/c6-5(8)11-13(9,10)7-1-3-12-4-2-7/h1-4H2,(H2,6,8)
InChIKeyBYZDHARWINQWNJ-UHFFFAOYSA-N
XLogP-0.62
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbamoyl thiomorpholine-4-sulfonate?
The IUPAC name of carbamoyl thiomorpholine-4-sulfonate (CID 87684899) is carbamoyl thiomorpholine-4-sulfonate.
What is the SMILES notation for carbamoyl thiomorpholine-4-sulfonate?
The canonical SMILES for carbamoyl thiomorpholine-4-sulfonate is NC(=O)OS(=O)(=O)N1CCSCC1.
What is the InChIKey of carbamoyl thiomorpholine-4-sulfonate?
The InChIKey is BYZDHARWINQWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S2/c6-5(8)11-13(9,10)7-1-3-12-4-2-7/h1-4H2,(H2,6,8).
What are the key properties of carbamoyl thiomorpholine-4-sulfonate?
carbamoyl thiomorpholine-4-sulfonate has a molecular weight of 226.28 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl thiomorpholine-4-sulfonate is sourced from PubChem (CID 87684899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).