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

C18H23NS — CID 143930756

IUPAC4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine
SMILESC=CC1=C(C=C)C(=C2CCNCC2)C(=C/C)/C(=C\C)S1
InChIInChI=1S/C18H23NS/c1-5-14-16(7-3)20-17(8-4)15(6-2)18(14)13-9-11-19-12-10-13/h5-8,19H,1,3,9-12H2,2,4H3/b15-6+,17-8+
InChIKeyGEBAECYLGRLUKM-LXCRZEJISA-N
MW285.46 g/mol
LogP4.89
Rot. Bonds2

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

4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine (PubChem CID 143930756) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine.

Molecular Properties

Compound Name4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine
PubChem CID143930756
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine
SMILESC=CC1=C(C=C)C(=C2CCNCC2)C(=C/C)/C(=C\C)S1
InChIInChI=1S/C18H23NS/c1-5-14-16(7-3)20-17(8-4)15(6-2)18(14)13-9-11-19-12-10-13/h5-8,19H,1,3,9-12H2,2,4H3/b15-6+,17-8+
InChIKeyGEBAECYLGRLUKM-LXCRZEJISA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-[(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-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
4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine;ethane
CID 143930755
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

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine?
The IUPAC name of 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine (CID 143930756) is 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine.
What is the SMILES notation for 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine?
The canonical SMILES for 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine is C=CC1=C(C=C)C(=C2CCNCC2)C(=C/C)/C(=C\C)S1.
What is the InChIKey of 4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine?
The InChIKey is GEBAECYLGRLUKM-LXCRZEJISA-N. The full InChI is InChI=1S/C18H23NS/c1-5-14-16(7-3)20-17(8-4)15(6-2)18(14)13-9-11-19-12-10-13/h5-8,19H,1,3,9-12H2,2,4H3/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?
4-[(5Z,6E)-2,3-bis(ethenyl)-5,6-di(ethylidene)thiopyran-4-ylidene]piperidine has a molecular weight of 285.46 g/mol, XLogP of 4.89, 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 is sourced from PubChem (CID 143930756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).