(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide

C16H17NO2S — CID 139457868

IUPAC(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
SMILESC=C/C=C1/NC(=C/C=C)/C(=C\C=C)S(=O)(=O)/C1=C/C=C
InChIInChI=1S/C16H17NO2S/c1-5-9-13-15(11-7-3)20(18,19)16(12-8-4)14(17-13)10-6-2/h5-12,17H,1-4H2/b13-9+,14-10+,15-11+,16-12+
InChIKeyPUYAIMDOMUTKSL-KUWVSJDVSA-N
MW287.38 g/mol
LogP3.28
Rot. Bonds4

About (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide

(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide (PubChem CID 139457868) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
PubChem CID139457868
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
SMILESC=C/C=C1/NC(=C/C=C)/C(=C\C=C)S(=O)(=O)/C1=C/C=C
InChIInChI=1S/C16H17NO2S/c1-5-9-13-15(11-7-3)20(18,19)16(12-8-4)14(17-13)10-6-2/h5-12,17H,1-4H2/b13-9+,14-10+,15-11+,16-12+
InChIKeyPUYAIMDOMUTKSL-KUWVSJDVSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide (CID 139457868) is (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide is C=C/C=C1/NC(=C/C=C)/C(=C\C=C)S(=O)(=O)/C1=C/C=C.
What is the InChIKey of (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The InChIKey is PUYAIMDOMUTKSL-KUWVSJDVSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-5-9-13-15(11-7-3)20(18,19)16(12-8-4)14(17-13)10-6-2/h5-12,17H,1-4H2/b13-9+,14-10+,15-11+,16-12+.
What are the key properties of (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide has a molecular weight of 287.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 139457868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).