(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide

C14H17NO2S — CID 137466868

IUPAC(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide
SMILESC=C/C=C1/NC(/C=C\C)=C(C=C)S(=O)(=O)/C1=C/C
InChIInChI=1S/C14H17NO2S/c1-5-9-11-13(7-3)18(16,17)14(8-4)12(15-11)10-6-2/h5-10,15H,1,4H2,2-3H3/b10-6-,11-9+,13-7+
InChIKeyXHDKNXHSKPRTQX-VQGHUNBHSA-N
MW263.36 g/mol
LogP2.95
Rot. Bonds3

About (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide

(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide (PubChem CID 137466868) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide
PubChem CID137466868
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide
SMILESC=C/C=C1/NC(/C=C\C)=C(C=C)S(=O)(=O)/C1=C/C
InChIInChI=1S/C14H17NO2S/c1-5-9-11-13(7-3)18(16,17)14(8-4)12(15-11)10-6-2/h5-10,15H,1,4H2,2-3H3/b10-6-,11-9+,13-7+
InChIKeyXHDKNXHSKPRTQX-VQGHUNBHSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine
CID 126542493
(3E,5E)-5-[(3E,5E)-6-aminohepta-1,3,5-trien-4-yl]sulfonylocta-1,3,5,7-tetraen-3-amine
CID 126759027
(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
CID 139457868
(2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide
CID 139457962
(2E)-2-[(2E,5E,6E)-2-ethylidene-1,1-dioxo-5,6-bis(prop-2-enylidene)-1,4-thiazinan-3-ylidene]ethanethiol
CID 139458211
(2E,3E,5E,6E)-3-ethylidene-2,5,6-tris(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
CID 139524909
(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-trien-2-amine
CID 146220773
(2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
CID 146666354
(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
CID 146666648
(2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
CID 170010603
(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine
CID 142288330
(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine
CID 142370650

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide?
The IUPAC name of (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide (CID 137466868) is (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide?
The canonical SMILES for (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide is C=C/C=C1/NC(/C=C\C)=C(C=C)S(=O)(=O)/C1=C/C.
What is the InChIKey of (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide?
The InChIKey is XHDKNXHSKPRTQX-VQGHUNBHSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-5-9-11-13(7-3)18(16,17)14(8-4)12(15-11)10-6-2/h5-10,15H,1,4H2,2-3H3/b10-6-,11-9+,13-7+.
What are the key properties of (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide?
(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide has a molecular weight of 263.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 137466868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).