4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine

C20H25NS — CID 143930754

IUPAC4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine
SMILESC=C/C=C1/C(=C2CCNCC2)C(/C=C\C)=C(C=C)S/C1=C/C
InChIInChI=1S/C20H25NS/c1-5-9-16-18(7-3)22-19(8-4)17(10-6-2)20(16)15-11-13-21-14-12-15/h5-10,21H,1,4,11-14H2,2-3H3/b10-6-,16-9+,18-7+
InChIKeyMPZYTHAVNFYGPH-UQBQXOKQSA-N
MW311.49 g/mol
LogP5.45
Rot. Bonds3

About 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine

4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine (PubChem CID 143930754) has the molecular formula C20H25NS and a molecular weight of 311.49 g/mol. Its IUPAC name is 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine.

Molecular Properties

Compound Name4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine
PubChem CID143930754
Molecular FormulaC20H25NS
Molecular Weight311.49 g/mol
Exact Mass311.17
IUPAC Name4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine
SMILESC=C/C=C1/C(=C2CCNCC2)C(/C=C\C)=C(C=C)S/C1=C/C
InChIInChI=1S/C20H25NS/c1-5-9-16-18(7-3)22-19(8-4)17(10-6-2)20(16)15-11-13-21-14-12-15/h5-10,21H,1,4,11-14H2,2-3H3/b10-6-,16-9+,18-7+
InChIKeyMPZYTHAVNFYGPH-UQBQXOKQSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine with MolForge

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Related Compounds

4-[(2-Fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine
CID 142816289
3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
1,1,1-Trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine
CID 137395678
4-[Cyclohexa-1,5-dien-1-yl(2,3-dihydrothiophen-2-yl)methylidene]piperidine
CID 141793653
3,4-Bis(ethenyl)-1-thia-8-azaspiro[4.5]dec-3-ene
CID 141834193
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 141908667
ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]
CID 142015041
4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 142015385
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane;ethene
CID 142015698
4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine
CID 142028573
4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
CID 142139236

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
The IUPAC name of 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine (CID 143930754) is 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine.
What is the SMILES notation for 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
The canonical SMILES for 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine is C=C/C=C1/C(=C2CCNCC2)C(/C=C\C)=C(C=C)S/C1=C/C.
What is the InChIKey of 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
The InChIKey is MPZYTHAVNFYGPH-UQBQXOKQSA-N. The full InChI is InChI=1S/C20H25NS/c1-5-9-16-18(7-3)22-19(8-4)17(10-6-2)20(16)15-11-13-21-14-12-15/h5-10,21H,1,4,11-14H2,2-3H3/b10-6-,16-9+,18-7+.
What are the key properties of 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine has a molecular weight of 311.49 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine is sourced from PubChem (CID 143930754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).