4-ethenyl-1,1-dihydroxy-1,4-thiazinane

C6H13NO2S — CID 143269442

IUPAC4-ethenyl-1,1-dihydroxy-1,4-thiazinane
SMILESC=CN1CCS(O)(O)CC1
InChIInChI=1S/C6H13NO2S/c1-2-7-3-5-10(8,9)6-4-7/h2,8-9H,1,3-6H2
InChIKeyPJGISFXVQLGQCY-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.20
Rot. Bonds1

About 4-ethenyl-1,1-dihydroxy-1,4-thiazinane

4-ethenyl-1,1-dihydroxy-1,4-thiazinane (PubChem CID 143269442) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-ethenyl-1,1-dihydroxy-1,4-thiazinane.

Molecular Properties

Compound Name4-ethenyl-1,1-dihydroxy-1,4-thiazinane
PubChem CID143269442
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name4-ethenyl-1,1-dihydroxy-1,4-thiazinane
SMILESC=CN1CCS(O)(O)CC1
InChIInChI=1S/C6H13NO2S/c1-2-7-3-5-10(8,9)6-4-7/h2,8-9H,1,3-6H2
InChIKeyPJGISFXVQLGQCY-UHFFFAOYSA-N
XLogP1.20
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethenyl-1,4-thiazinane 1,1-dioxide
CID 58283302
4-Ethenylthiomorpholine
CID 59288968
4-Ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde
CID 143269441
4-Ethenyl-1,4-thiazinane 1-oxide
CID 171832065

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane?
The IUPAC name of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane (CID 143269442) is 4-ethenyl-1,1-dihydroxy-1,4-thiazinane.
What is the SMILES notation for 4-ethenyl-1,1-dihydroxy-1,4-thiazinane?
The canonical SMILES for 4-ethenyl-1,1-dihydroxy-1,4-thiazinane is C=CN1CCS(O)(O)CC1.
What is the InChIKey of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane?
The InChIKey is PJGISFXVQLGQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-7-3-5-10(8,9)6-4-7/h2,8-9H,1,3-6H2.
What are the key properties of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane?
4-ethenyl-1,1-dihydroxy-1,4-thiazinane has a molecular weight of 163.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,1-dihydroxy-1,4-thiazinane is sourced from PubChem (CID 143269442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).