ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine

C19H33NS — CID 143411151

IUPACethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1C(=C/C)\SC(C=C)C(/C=C\C)N\1C.CC.CC
InChIInChI=1S/C15H21NS.2C2H6/c1-6-10-12-14(8-3)17-15(9-4)13(11-7-2)16(12)5;2*1-2/h6-11,13,15H,1,4H2,2-3,5H3;2*1-2H3/b11-7-,12-10+,14-8+;;
InChIKeyAWDGQOYVOSDXIP-DCLMCUOPSA-N
MW307.55 g/mol
LogP6.19
Rot. Bonds3

About ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine

ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine (PubChem CID 143411151) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine.

Molecular Properties

Compound Nameethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine
PubChem CID143411151
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Nameethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1C(=C/C)\SC(C=C)C(/C=C\C)N\1C.CC.CC
InChIInChI=1S/C15H21NS.2C2H6/c1-6-10-12-14(8-3)17-15(9-4)13(11-7-2)16(12)5;2*1-2/h6-11,13,15H,1,4H2,2-3,5H3;2*1-2H3/b11-7-,12-10+,14-8+;;
InChIKeyAWDGQOYVOSDXIP-DCLMCUOPSA-N
XLogP6.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine 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

(4E)-4-[(2E)-2-ethyl-3-fluoropenta-2,4-dienylidene]-1,1,2,3,5-pentamethyl-1,3-thiazinane
CID 155402945
6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine
CID 54355118
3,4-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]thiazine
CID 91155839
N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine
CID 123544689
(3Z)-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-[(4Z)-7-methylocta-1,4,6-trien-2-yl]-3-(4-methylpent-4-en-2-ylidene)thiomorpholine
CID 126691456
1-[(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-2-amine
CID 126709407
N-methyl-N-[1-[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylcyclohexa-1,3-dien-1-yl]ethenyl]butan-1-amine
CID 130346545
1-But-1-enyl-4-(4-ethylsulfanylcyclohexa-1,5-dien-1-yl)piperazine
CID 134404659
3-Cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane
CID 143862264
(3Z,5Z)-8-methyl-2,7,10,11-tetrahydro-1,8-benzothiazecine
CID 144033491
(3E,5E)-N-butan-2-yl-N-ethyl-3-methyl-5-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]hepta-1,3,5-trien-2-amine;ethane
CID 144520249
1-but-3-enylsulfanylcyclohexa-1,3-diene;ethane;N-methyl-N-propylpropan-1-amine
CID 144978460

Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
The IUPAC name of ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine (CID 143411151) is ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine.
What is the SMILES notation for ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
The canonical SMILES for ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine is C=C/C=C1C(=C/C)\SC(C=C)C(/C=C\C)N\1C.CC.CC.
What is the InChIKey of ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
The InChIKey is AWDGQOYVOSDXIP-DCLMCUOPSA-N. The full InChI is InChI=1S/C15H21NS.2C2H6/c1-6-10-12-14(8-3)17-15(9-4)13(11-7-2)16(12)5;2*1-2/h6-11,13,15H,1,4H2,2-3,5H3;2*1-2H3/b11-7-,12-10+,14-8+;;.
What are the key properties of ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine has a molecular weight of 307.55 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine is sourced from PubChem (CID 143411151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).