ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine

C15H29NS — CID 142021682

IUPACethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine
SMILESC/C=C\C(=C/C)SCCC1CCNCC1.CC
InChIInChI=1S/C13H23NS.C2H6/c1-3-5-13(4-2)15-11-8-12-6-9-14-10-7-12;1-2/h3-5,12,14H,6-11H2,1-2H3;1-2H3/b5-3-,13-4+;
InChIKeyBRJAGOWAYALRNQ-SJGNMLQFSA-N
MW255.47 g/mol
LogP4.62
Rot. Bonds5

About ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine

ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine (PubChem CID 142021682) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine.

Molecular Properties

Compound Nameethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine
PubChem CID142021682
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Nameethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine
SMILESC/C=C\C(=C/C)SCCC1CCNCC1.CC
InChIInChI=1S/C13H23NS.C2H6/c1-3-5-13(4-2)15-11-8-12-6-9-14-10-7-12;1-2/h3-5,12,14H,6-11H2,1-2H3;1-2H3/b5-3-,13-4+;
InChIKeyBRJAGOWAYALRNQ-SJGNMLQFSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]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-[1-fluoro-1-[(3E)-4-fluoropenta-1,3-dien-2-yl]sulfanylethyl]piperidine
CID 145127435
4-(Prop-1-en-2-ylsulfanylmethyl)piperidine
CID 67489984
3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
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
4-[(3E)-4-methyl-3-methylsulfanylhexa-1,3,5-trien-2-yl]piperidine
CID 143150989
4-[(3Z)-3-methylsulfanylhexa-3,5-dien-2-yl]piperidine
CID 144285072
ethane;4-[1-fluoro-1-[(3E)-4-fluoropenta-1,3-dien-2-yl]sulfanylethyl]piperidine
CID 145127434
3-(Cyclohexa-1,5-dien-1-ylsulfanylmethyl)piperidine;ethane
CID 166104304
4-(1-Prop-2-enylsulfanylethyl)piperidine
CID 84020024
4-[1-(2-Methylprop-2-enylsulfanyl)ethyl]piperidine
CID 84020043
4-(1-But-3-enylsulfanylethyl)piperidine
CID 84020072

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine?
The IUPAC name of ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine (CID 142021682) is ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine.
What is the SMILES notation for ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine?
The canonical SMILES for ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine is C/C=C\C(=C/C)SCCC1CCNCC1.CC.
What is the InChIKey of ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine?
The InChIKey is BRJAGOWAYALRNQ-SJGNMLQFSA-N. The full InChI is InChI=1S/C13H23NS.C2H6/c1-3-5-13(4-2)15-11-8-12-6-9-14-10-7-12;1-2/h3-5,12,14H,6-11H2,1-2H3;1-2H3/b5-3-,13-4+;.
What are the key properties of ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine?
ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine has a molecular weight of 255.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine is sourced from PubChem (CID 142021682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).