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

C22H31NS — CID 143930753

IUPACethane;4-[(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.CC
InChIInChI=1S/C20H25NS.C2H6/c1-5-9-16-18(7-3)22-19(8-4)17(10-6-2)20(16)15-11-13-21-14-12-15;1-2/h5-10,21H,1,4,11-14H2,2-3H3;1-2H3/b10-6-,16-9+,18-7+;
InChIKeyDLPRHWUNIZIPBE-BYYUOVBJSA-N
MW341.56 g/mol
LogP6.47
Rot. Bonds3

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

ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine (PubChem CID 143930753) has the molecular formula C22H31NS and a molecular weight of 341.56 g/mol. Its IUPAC name is ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine.

Molecular Properties

Compound Nameethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine
PubChem CID143930753
Molecular FormulaC22H31NS
Molecular Weight341.56 g/mol
Exact Mass341.22
IUPAC Nameethane;4-[(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.CC
InChIInChI=1S/C20H25NS.C2H6/c1-5-9-16-18(7-3)22-19(8-4)17(10-6-2)20(16)15-11-13-21-14-12-15;1-2/h5-10,21H,1,4,11-14H2,2-3H3;1-2H3/b10-6-,16-9+,18-7+;
InChIKeyDLPRHWUNIZIPBE-BYYUOVBJSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.56
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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 ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
The IUPAC name of ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine (CID 143930753) is ethane;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 ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
The InChIKey is DLPRHWUNIZIPBE-BYYUOVBJSA-N. The full InChI is InChI=1S/C20H25NS.C2H6/c1-5-9-16-18(7-3)22-19(8-4)17(10-6-2)20(16)15-11-13-21-14-12-15;1-2/h5-10,21H,1,4,11-14H2,2-3H3;1-2H3/b10-6-,16-9+,18-7+;.
What are the key properties of ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine?
ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine has a molecular weight of 341.56 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(5Z,6E)-2-ethenyl-6-ethylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiopyran-4-ylidene]piperidine is sourced from PubChem (CID 143930753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).