(4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide

C10H15NO2S — CID 134216896

IUPAC(4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide
SMILESC/C=C/C=C1/CS(=O)(=O)NC/C1=C/C
InChIInChI=1S/C10H15NO2S/c1-3-5-6-10-8-14(12,13)11-7-9(10)4-2/h3-6,11H,7-8H2,1-2H3/b5-3+,9-4-,10-6-
InChIKeyNJYOKHNVBRUEQQ-GMLTWNDESA-N
MW213.30 g/mol
LogP1.37
Rot. Bonds1

About (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide

(4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide (PubChem CID 134216896) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide.

Molecular Properties

Compound Name(4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide
PubChem CID134216896
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide
SMILESC/C=C/C=C1/CS(=O)(=O)NC/C1=C/C
InChIInChI=1S/C10H15NO2S/c1-3-5-6-10-8-14(12,13)11-7-9(10)4-2/h3-6,11H,7-8H2,1-2H3/b5-3+,9-4-,10-6-
InChIKeyNJYOKHNVBRUEQQ-GMLTWNDESA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide?
The IUPAC name of (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide (CID 134216896) is (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide.
What is the SMILES notation for (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide?
The canonical SMILES for (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide is C/C=C/C=C1/CS(=O)(=O)NC/C1=C/C.
What is the InChIKey of (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide?
The InChIKey is NJYOKHNVBRUEQQ-GMLTWNDESA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-5-6-10-8-14(12,13)11-7-9(10)4-2/h3-6,11H,7-8H2,1-2H3/b5-3+,9-4-,10-6-.
What are the key properties of (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide?
(4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide has a molecular weight of 213.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(E)-but-2-enylidene]-4-ethylidenethiazinane 1,1-dioxide is sourced from PubChem (CID 134216896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).