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

C14H17NO2S — CID 139457962

IUPAC(2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C/C=C1\C(=C)NC(=C/CC)/C(=C\C=C)S1(=O)=O
InChIInChI=1S/C14H17NO2S/c1-5-8-12-14(10-7-3)18(16,17)13(9-6-2)11(4)15-12/h6-10,15H,2-5H2,1H3/b12-8+,13-9+,14-10+
InChIKeyKGJDBWYZSURQOK-BTKJYRBWSA-N
MW263.36 g/mol
LogP2.95
Rot. Bonds3

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

(2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide (PubChem CID 139457962) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide
PubChem CID139457962
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide
SMILESC=C/C=C1\C(=C)NC(=C/CC)/C(=C\C=C)S1(=O)=O
InChIInChI=1S/C14H17NO2S/c1-5-8-12-14(10-7-3)18(16,17)13(9-6-2)11(4)15-12/h6-10,15H,2-5H2,1H3/b12-8+,13-9+,14-10+
InChIKeyKGJDBWYZSURQOK-BTKJYRBWSA-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

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(2E,3E,6R)-6-amino-3-prop-2-enylidene-2-propylidene-1,4-thiazepan-5-one
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(4E,5E)-1-methyl-5-prop-2-enylidene-4-propylideneimidazolidin-2-one
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(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
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(1Z,2Z)-1-prop-2-enylidene-2-propylidenecyclohexane
CID 143194645
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one
CID 67780587
(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
CID 143411150
[(4Z,5E)-5-prop-2-enylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid
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Frequently Asked Questions

What is the IUPAC name of (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide (CID 139457962) is (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide is C=C/C=C1\C(=C)NC(=C/CC)/C(=C\C=C)S1(=O)=O.
What is the InChIKey of (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide?
The InChIKey is KGJDBWYZSURQOK-BTKJYRBWSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-5-8-12-14(10-7-3)18(16,17)13(9-6-2)11(4)15-12/h6-10,15H,2-5H2,1H3/b12-8+,13-9+,14-10+.
What are the key properties of (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide?
(2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 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 (2E,5E,6E)-3-methylidene-2,6-bis(prop-2-enylidene)-5-propylidene-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 139457962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).