(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine

C12H19NS — CID 142253686

IUPAC(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
SMILESC/C=C\C=C1\SCCN\C1=C(\C)CC
InChIInChI=1S/C12H19NS/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,13H,5,8-9H2,1-3H3/b6-4-,11-7+,12-10-
InChIKeyRTHOZXXWPLOAIW-YTUNHHTKSA-N
MW209.36 g/mol
LogP3.47
Rot. Bonds2

About (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine

(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine (PubChem CID 142253686) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine.

Molecular Properties

Compound Name(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
PubChem CID142253686
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
SMILESC/C=C\C=C1\SCCN\C1=C(\C)CC
InChIInChI=1S/C12H19NS/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,13H,5,8-9H2,1-3H3/b6-4-,11-7+,12-10-
InChIKeyRTHOZXXWPLOAIW-YTUNHHTKSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-1-[(2E)-2-prop-2-enylidenethiomorpholin-3-ylidene]propan-2-amine
CID 88266701
(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
CID 89129886
(9Z)-9-butan-2-ylidene-5-thia-8-azaspiro[3.5]non-2-ene
CID 118983461
N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 123728684
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
6-Methyl-3-(1-propan-2-ylsulfanylethenyl)-1,2-dihydropyridine
CID 139572219
7-Methyl-2,3,4,9a-tetrahydrocyclohepta[b][1,4]thiazine
CID 141812621
Ethane;5-ethenyl-4-ethylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953489
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine
CID 142054803
(4aZ,8Z,10E)-5-methyl-3,4,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
CID 142992597
ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 143039774

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine?
The IUPAC name of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine (CID 142253686) is (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine.
What is the SMILES notation for (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine?
The canonical SMILES for (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine is C/C=C\C=C1\SCCN\C1=C(\C)CC.
What is the InChIKey of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine?
The InChIKey is RTHOZXXWPLOAIW-YTUNHHTKSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-6-7-11-12(10(3)5-2)13-8-9-14-11/h4,6-7,13H,5,8-9H2,1-3H3/b6-4-,11-7+,12-10-.
What are the key properties of (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine?
(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine has a molecular weight of 209.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine is sourced from PubChem (CID 142253686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).