thiomorpholin-4-ylsulfonylcarbamic acid

C5H10N2O4S2 — CID 68549835

IUPACthiomorpholin-4-ylsulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)N1CCSCC1
InChIInChI=1S/C5H10N2O4S2/c8-5(9)6-13(10,11)7-1-3-12-4-2-7/h6H,1-4H2,(H,8,9)
InChIKeyAYVDOPVTCIUNEY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.45
Rot. Bonds2

About thiomorpholin-4-ylsulfonylcarbamic acid

thiomorpholin-4-ylsulfonylcarbamic acid (PubChem CID 68549835) has the molecular formula C5H10N2O4S2 and a molecular weight of 226.28 g/mol. Its IUPAC name is thiomorpholin-4-ylsulfonylcarbamic acid.

Molecular Properties

Compound Namethiomorpholin-4-ylsulfonylcarbamic acid
PubChem CID68549835
Molecular FormulaC5H10N2O4S2
Molecular Weight226.28 g/mol
Exact Mass226.01
IUPAC Namethiomorpholin-4-ylsulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)N1CCSCC1
InChIInChI=1S/C5H10N2O4S2/c8-5(9)6-13(10,11)7-1-3-12-4-2-7/h6H,1-4H2,(H,8,9)
InChIKeyAYVDOPVTCIUNEY-UHFFFAOYSA-N
XLogP-0.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-ylsulfonylcarbamic acid?
The IUPAC name of thiomorpholin-4-ylsulfonylcarbamic acid (CID 68549835) is thiomorpholin-4-ylsulfonylcarbamic acid.
What is the SMILES notation for thiomorpholin-4-ylsulfonylcarbamic acid?
The canonical SMILES for thiomorpholin-4-ylsulfonylcarbamic acid is O=C(O)NS(=O)(=O)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-ylsulfonylcarbamic acid?
The InChIKey is AYVDOPVTCIUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S2/c8-5(9)6-13(10,11)7-1-3-12-4-2-7/h6H,1-4H2,(H,8,9).
What are the key properties of thiomorpholin-4-ylsulfonylcarbamic acid?
thiomorpholin-4-ylsulfonylcarbamic acid has a molecular weight of 226.28 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-ylsulfonylcarbamic acid is sourced from PubChem (CID 68549835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).