4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane

C22H35NS — CID 143930755

IUPAC4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane
SMILESC=CC1=C(C=C)C(=C2CCNCC2)C(=C/C)/C(=C\C)S1.CC.CC
InChIInChI=1S/C18H23NS.2C2H6/c1-5-14-16(7-3)20-17(8-4)15(6-2)18(14)13-9-11-19-12-10-13;2*1-2/h5-8,19H,1,3,9-12H2,2,4H3;2*1-2H3/b15-6+,17-8+;;
InChIKeyWFEGGHVZIGDORF-GEUYWOKOSA-N
MW345.60 g/mol
LogP6.94
Rot. Bonds2

About 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane

4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane (PubChem CID 143930755) has the molecular formula C22H35NS and a molecular weight of 345.60 g/mol. Its IUPAC name is 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane.

Molecular Properties

Compound Name4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane
PubChem CID143930755
Molecular FormulaC22H35NS
Molecular Weight345.60 g/mol
Exact Mass345.25
IUPAC Name4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane
SMILESC=CC1=C(C=C)C(=C2CCNCC2)C(=C/C)/C(=C\C)S1.CC.CC
InChIInChI=1S/C18H23NS.2C2H6/c1-5-14-16(7-3)20-17(8-4)15(6-2)18(14)13-9-11-19-12-10-13;2*1-2/h5-8,19H,1,3,9-12H2,2,4H3;2*1-2H3/b15-6+,17-8+;;
InChIKeyWFEGGHVZIGDORF-GEUYWOKOSA-N
XLogP6.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane with MolForge

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Related Compounds

4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
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-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
CID 142139236
4-[(3E)-4-methyl-3-methylsulfanylhexa-1,3,5-trien-2-yl]piperidine
CID 143150989
ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine
CID 143930753
2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]thiomorpholine
CID 145591283
4-(2H-cyclohepta[e][1]benzothiol-3-ylidene)piperidine
CID 154224029
3-(Cyclohexa-1,5-dien-1-ylsulfanylmethyl)piperidine;ethane
CID 166104304
4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine
CID 143930754
4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine
CID 143930756

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane?
The IUPAC name of 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane (CID 143930755) is 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane.
What is the SMILES notation for 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane?
The canonical SMILES for 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane is C=CC1=C(C=C)C(=C2CCNCC2)C(=C/C)/C(=C\C)S1.CC.CC.
What is the InChIKey of 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane?
The InChIKey is WFEGGHVZIGDORF-GEUYWOKOSA-N. The full InChI is InChI=1S/C18H23NS.2C2H6/c1-5-14-16(7-3)20-17(8-4)15(6-2)18(14)13-9-11-19-12-10-13;2*1-2/h5-8,19H,1,3,9-12H2,2,4H3;2*1-2H3/b15-6+,17-8+;;.
What are the key properties of 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane?
4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane has a molecular weight of 345.60 g/mol, XLogP of 6.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane is sourced from PubChem (CID 143930755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).