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

C14H17NO2S — CID 170010603

IUPAC(2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(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
InChIInChI=1S/C14H17NO2S/c1-5-9-12-13(8-4)18(16,17)14(10-6-2)11(7-3)15-12/h5-10,15H,1-2H2,3-4H3/b11-7+,12-9+,13-8+,14-10+
InChIKeyPAFWTFIYMPPMHH-OWFGURNWSA-N
MW263.36 g/mol
LogP2.95
Rot. Bonds2

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

(2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide (PubChem CID 170010603) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
PubChem CID170010603
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(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
InChIInChI=1S/C14H17NO2S/c1-5-9-12-13(8-4)18(16,17)14(10-6-2)11(7-3)15-12/h5-10,15H,1-2H2,3-4H3/b11-7+,12-9+,13-8+,14-10+
InChIKeyPAFWTFIYMPPMHH-OWFGURNWSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

(5E,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidene-4H-1,4-thiazine 1,1-dioxide
CID 137466868
(2E,3E,5E,6E)-2,3,5,6-tetrakis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide
CID 139457868
(E)-[(2E,5E,6E)-1,1-dioxo-2,5,6-tris(prop-2-enylidene)-1,4-thiazinan-3-ylidene]methanethiol
CID 139457869
(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

Frequently Asked Questions

What is the IUPAC name of (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide (CID 170010603) is (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(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.
What is the InChIKey of (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
The InChIKey is PAFWTFIYMPPMHH-OWFGURNWSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-5-9-12-13(8-4)18(16,17)14(10-6-2)11(7-3)15-12/h5-10,15H,1-2H2,3-4H3/b11-7+,12-9+,13-8+,14-10+.
What are the key properties of (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide?
(2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide has a molecular weight of 263.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E,5E,6E)-2,5-di(ethylidene)-3,6-bis(prop-2-enylidene)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 170010603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).