(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine

C11H17NS — CID 89129886

IUPAC(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1/SCCN/C1=C/C(C)C
InChIInChI=1S/C11H17NS/c1-4-5-11-10(8-9(2)3)12-6-7-13-11/h4-5,8-9,12H,1,6-7H2,2-3H3/b10-8+,11-5+
InChIKeyVAZBXWNWHDIRQM-BSJVZVMRSA-N
MW195.33 g/mol
LogP2.93
Rot. Bonds2

About (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine

(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine (PubChem CID 89129886) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine.

Molecular Properties

Compound Name(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
PubChem CID89129886
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1/SCCN/C1=C/C(C)C
InChIInChI=1S/C11H17NS/c1-4-5-11-10(8-9(2)3)12-6-7-13-11/h4-5,8-9,12H,1,6-7H2,2-3H3/b10-8+,11-5+
InChIKeyVAZBXWNWHDIRQM-BSJVZVMRSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3,4,6,7-tetrahydro-2H-1,4-benzothiazine
CID 68330619
(1E)-1-[(2E)-2-prop-2-enylidenethiomorpholin-3-ylidene]propan-2-amine
CID 88266701
N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 123728684
4-Thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 126490185
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
7-Methyl-2,3,4,9a-tetrahydrocyclohepta[b][1,4]thiazine
CID 141812621
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine
CID 142054803
(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
CID 142253686
(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
CID 142992597
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazine
CID 143248573
(5Z)-7,7-dimethyl-2,3,4,8-tetrahydrocycloocta[b][1,4]thiazine
CID 143288936
6-methyl-3,4-dihydro-2H-cyclohepta[b][1,4]thiazin-6-amine
CID 143294932

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
The IUPAC name of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine (CID 89129886) is (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine.
What is the SMILES notation for (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
The canonical SMILES for (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine is C=C/C=C1/SCCN/C1=C/C(C)C.
What is the InChIKey of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
The InChIKey is VAZBXWNWHDIRQM-BSJVZVMRSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-5-11-10(8-9(2)3)12-6-7-13-11/h4-5,8-9,12H,1,6-7H2,2-3H3/b10-8+,11-5+.
What are the key properties of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine has a molecular weight of 195.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine is sourced from PubChem (CID 89129886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).