4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine

C15H25NS — CID 142139236

IUPAC4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
SMILESC=C/C(C)=C(\C=C/C)CSC1(C)CCNCC1
InChIInChI=1S/C15H25NS/c1-5-7-14(13(3)6-2)12-17-15(4)8-10-16-11-9-15/h5-7,16H,2,8-12H2,1,3-4H3/b7-5-,14-13+
InChIKeyVOGGMRNWDROQMD-JEASJYNGSA-N
MW251.44 g/mol
LogP3.94
Rot. Bonds5

About 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine

4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine (PubChem CID 142139236) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine.

Molecular Properties

Compound Name4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
PubChem CID142139236
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
SMILESC=C/C(C)=C(\C=C/C)CSC1(C)CCNCC1
InChIInChI=1S/C15H25NS/c1-5-7-14(13(3)6-2)12-17-15(4)8-10-16-11-9-15/h5-7,16H,2,8-12H2,1,3-4H3/b7-5-,14-13+
InChIKeyVOGGMRNWDROQMD-JEASJYNGSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine 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
N-pentyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 91300174
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
3,5-Dimethyl-2-prop-1-enyl-3-prop-1-en-2-ylthiomorpholine
CID 123962193
5-[2-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
CID 129084258
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
4-[Cyclohexa-1,5-dien-1-yl(2,3-dihydrothiophen-2-yl)methylidene]piperidine
CID 141793653
ethane;7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,4-thiazepane
CID 141799493
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine?
The IUPAC name of 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine (CID 142139236) is 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine.
What is the SMILES notation for 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine?
The canonical SMILES for 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine is C=C/C(C)=C(\C=C/C)CSC1(C)CCNCC1.
What is the InChIKey of 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine?
The InChIKey is VOGGMRNWDROQMD-JEASJYNGSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-7-14(13(3)6-2)12-17-15(4)8-10-16-11-9-15/h5-7,16H,2,8-12H2,1,3-4H3/b7-5-,14-13+.
What are the key properties of 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine?
4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine has a molecular weight of 251.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine is sourced from PubChem (CID 142139236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).