3,6-dihydro-2H-thiazine 1,1-dioxide

C4H7NO2S — CID 15418401

IUPAC3,6-dihydro-2H-thiazine 1,1-dioxide
SMILESO=S1(=O)CC=CCN1
InChIInChI=1S/C4H7NO2S/c6-8(7)4-2-1-3-5-8/h1-2,5H,3-4H2
InChIKeyZANMNTGMTNWLRU-UHFFFAOYSA-N
MW133.17 g/mol
LogP-0.52
Rot. Bonds

About 3,6-dihydro-2H-thiazine 1,1-dioxide

3,6-dihydro-2H-thiazine 1,1-dioxide (PubChem CID 15418401) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiazine 1,1-dioxide.

Molecular Properties

Compound Name3,6-dihydro-2H-thiazine 1,1-dioxide
PubChem CID15418401
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name3,6-dihydro-2H-thiazine 1,1-dioxide
SMILESO=S1(=O)CC=CCN1
InChIInChI=1S/C4H7NO2S/c6-8(7)4-2-1-3-5-8/h1-2,5H,3-4H2
InChIKeyZANMNTGMTNWLRU-UHFFFAOYSA-N
XLogP-0.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.52
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 3,6-dihydro-2H-thiazine 1,1-dioxide?
The IUPAC name of 3,6-dihydro-2H-thiazine 1,1-dioxide (CID 15418401) is 3,6-dihydro-2H-thiazine 1,1-dioxide.
What is the SMILES notation for 3,6-dihydro-2H-thiazine 1,1-dioxide?
The canonical SMILES for 3,6-dihydro-2H-thiazine 1,1-dioxide is O=S1(=O)CC=CCN1.
What is the InChIKey of 3,6-dihydro-2H-thiazine 1,1-dioxide?
The InChIKey is ZANMNTGMTNWLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c6-8(7)4-2-1-3-5-8/h1-2,5H,3-4H2.
What are the key properties of 3,6-dihydro-2H-thiazine 1,1-dioxide?
3,6-dihydro-2H-thiazine 1,1-dioxide has a molecular weight of 133.17 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiazine 1,1-dioxide is sourced from PubChem (CID 15418401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).