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

C15H17NO2S — CID 139524909

IUPAC(2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
SMILESC=C/C=C1/NC(=C/C)/C(=C\C=C)S(=O)(=O)/C1=C/C=C
InChIInChI=1S/C15H17NO2S/c1-5-9-13-15(11-7-3)19(17,18)14(10-6-2)12(8-4)16-13/h5-11,16H,1-3H2,4H3/b12-8+,13-9+,14-10+,15-11+
InChIKeyUXGNGFVGHFFEPG-IBLHVVBDSA-N
MW275.37 g/mol
LogP3.12
Rot. Bonds3

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

(2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide (PubChem CID 139524909) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
PubChem CID139524909
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
SMILESC=C/C=C1/NC(=C/C)/C(=C\C=C)S(=O)(=O)/C1=C/C=C
InChIInChI=1S/C15H17NO2S/c1-5-9-13-15(11-7-3)19(17,18)14(10-6-2)12(8-4)16-13/h5-11,16H,1-3H2,4H3/b12-8+,13-9+,14-10+,15-11+
InChIKeyUXGNGFVGHFFEPG-IBLHVVBDSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.12
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)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide (CID 139524909) is (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide is C=C/C=C1/NC(=C/C)/C(=C\C=C)S(=O)(=O)/C1=C/C=C.
What is the InChIKey of (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The InChIKey is UXGNGFVGHFFEPG-IBLHVVBDSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-5-9-13-15(11-7-3)19(17,18)14(10-6-2)12(8-4)16-13/h5-11,16H,1-3H2,4H3/b12-8+,13-9+,14-10+,15-11+.
What are the key properties of (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
(2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 139524909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).