3-ethenylthiazinane 1,1-dioxide

C6H11NO2S — CID 68838119

IUPAC3-ethenylthiazinane 1,1-dioxide
SMILESC=CC1CCCS(=O)(=O)N1
InChIInChI=1S/C6H11NO2S/c1-2-6-4-3-5-10(8,9)7-6/h2,6-7H,1,3-5H2
InChIKeyITNIJNBQRRHOMI-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.25
Rot. Bonds1

About 3-ethenylthiazinane 1,1-dioxide

3-ethenylthiazinane 1,1-dioxide (PubChem CID 68838119) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-ethenylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-ethenylthiazinane 1,1-dioxide
PubChem CID68838119
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-ethenylthiazinane 1,1-dioxide
SMILESC=CC1CCCS(=O)(=O)N1
InChIInChI=1S/C6H11NO2S/c1-2-6-4-3-5-10(8,9)7-6/h2,6-7H,1,3-5H2
InChIKeyITNIJNBQRRHOMI-UHFFFAOYSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylthiazinane 1,1-dioxide?
The IUPAC name of 3-ethenylthiazinane 1,1-dioxide (CID 68838119) is 3-ethenylthiazinane 1,1-dioxide.
What is the SMILES notation for 3-ethenylthiazinane 1,1-dioxide?
The canonical SMILES for 3-ethenylthiazinane 1,1-dioxide is C=CC1CCCS(=O)(=O)N1.
What is the InChIKey of 3-ethenylthiazinane 1,1-dioxide?
The InChIKey is ITNIJNBQRRHOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-6-4-3-5-10(8,9)7-6/h2,6-7H,1,3-5H2.
What are the key properties of 3-ethenylthiazinane 1,1-dioxide?
3-ethenylthiazinane 1,1-dioxide has a molecular weight of 161.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylthiazinane 1,1-dioxide is sourced from PubChem (CID 68838119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).