1-oxo-1,2,6-thiadiazinan-4-ol

C3H8N2O2S — CID 134182855

IUPAC1-oxo-1,2,6-thiadiazinan-4-ol
SMILESO=S1NCC(O)CN1
InChIInChI=1S/C3H8N2O2S/c6-3-1-4-8(7)5-2-3/h3-6H,1-2H2
InChIKeyUHLTTWFBIPQTJE-UHFFFAOYSA-N
MW136.18 g/mol
LogP-1.88
Rot. Bonds

About 1-oxo-1,2,6-thiadiazinan-4-ol

1-oxo-1,2,6-thiadiazinan-4-ol (PubChem CID 134182855) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is 1-oxo-1,2,6-thiadiazinan-4-ol.

Molecular Properties

Compound Name1-oxo-1,2,6-thiadiazinan-4-ol
PubChem CID134182855
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC Name1-oxo-1,2,6-thiadiazinan-4-ol
SMILESO=S1NCC(O)CN1
InChIInChI=1S/C3H8N2O2S/c6-3-1-4-8(7)5-2-3/h3-6H,1-2H2
InChIKeyUHLTTWFBIPQTJE-UHFFFAOYSA-N
XLogP-1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-1,2,6-thiadiazinan-4-ol?
The IUPAC name of 1-oxo-1,2,6-thiadiazinan-4-ol (CID 134182855) is 1-oxo-1,2,6-thiadiazinan-4-ol.
What is the SMILES notation for 1-oxo-1,2,6-thiadiazinan-4-ol?
The canonical SMILES for 1-oxo-1,2,6-thiadiazinan-4-ol is O=S1NCC(O)CN1.
What is the InChIKey of 1-oxo-1,2,6-thiadiazinan-4-ol?
The InChIKey is UHLTTWFBIPQTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S/c6-3-1-4-8(7)5-2-3/h3-6H,1-2H2.
What are the key properties of 1-oxo-1,2,6-thiadiazinan-4-ol?
1-oxo-1,2,6-thiadiazinan-4-ol has a molecular weight of 136.18 g/mol, XLogP of -1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1,2,6-thiadiazinan-4-ol is sourced from PubChem (CID 134182855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).