5-ethyl-3,4-dihydro-2H-1,4-thiazine

C6H11NS — CID 55286480

IUPAC5-ethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCCC1=CSCCN1
InChIInChI=1S/C6H11NS/c1-2-6-5-8-4-3-7-6/h5,7H,2-4H2,1H3
InChIKeyMFJMCFXQUUEMEG-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.57
Rot. Bonds1

About 5-ethyl-3,4-dihydro-2H-1,4-thiazine

5-ethyl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 55286480) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-2H-1,4-thiazine
PubChem CID55286480
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name5-ethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCCC1=CSCCN1
InChIInChI=1S/C6H11NS/c1-2-6-5-8-4-3-7-6/h5,7H,2-4H2,1H3
InChIKeyMFJMCFXQUUEMEG-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5-ethyl-3,4-dihydro-2H-1,4-thiazine (CID 55286480) is 5-ethyl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5-ethyl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5-ethyl-3,4-dihydro-2H-1,4-thiazine is CCC1=CSCCN1.
What is the InChIKey of 5-ethyl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is MFJMCFXQUUEMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-6-5-8-4-3-7-6/h5,7H,2-4H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydro-2H-1,4-thiazine?
5-ethyl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 129.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 55286480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).