thiomorpholin-4-ylsulfanylcarbamic acid

C5H10N2O2S2 — CID 87767412

IUPACthiomorpholin-4-ylsulfanylcarbamic acid
SMILESO=C(O)NSN1CCSCC1
InChIInChI=1S/C5H10N2O2S2/c8-5(9)6-11-7-1-3-10-4-2-7/h6H,1-4H2,(H,8,9)
InChIKeySGGICXJMVBVEFG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.87
Rot. Bonds2

About thiomorpholin-4-ylsulfanylcarbamic acid

thiomorpholin-4-ylsulfanylcarbamic acid (PubChem CID 87767412) has the molecular formula C5H10N2O2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is thiomorpholin-4-ylsulfanylcarbamic acid.

Molecular Properties

Compound Namethiomorpholin-4-ylsulfanylcarbamic acid
PubChem CID87767412
Molecular FormulaC5H10N2O2S2
Molecular Weight194.28 g/mol
Exact Mass194.02
IUPAC Namethiomorpholin-4-ylsulfanylcarbamic acid
SMILESO=C(O)NSN1CCSCC1
InChIInChI=1S/C5H10N2O2S2/c8-5(9)6-11-7-1-3-10-4-2-7/h6H,1-4H2,(H,8,9)
InChIKeySGGICXJMVBVEFG-UHFFFAOYSA-N
XLogP0.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-ylsulfanylcarbamic acid?
The IUPAC name of thiomorpholin-4-ylsulfanylcarbamic acid (CID 87767412) is thiomorpholin-4-ylsulfanylcarbamic acid.
What is the SMILES notation for thiomorpholin-4-ylsulfanylcarbamic acid?
The canonical SMILES for thiomorpholin-4-ylsulfanylcarbamic acid is O=C(O)NSN1CCSCC1.
What is the InChIKey of thiomorpholin-4-ylsulfanylcarbamic acid?
The InChIKey is SGGICXJMVBVEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S2/c8-5(9)6-11-7-1-3-10-4-2-7/h6H,1-4H2,(H,8,9).
What are the key properties of thiomorpholin-4-ylsulfanylcarbamic acid?
thiomorpholin-4-ylsulfanylcarbamic acid has a molecular weight of 194.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-ylsulfanylcarbamic acid is sourced from PubChem (CID 87767412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).