2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine

C14H17NS — CID 144892259

IUPAC2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine
SMILESC=C(/C=C\C=C/C)CSCc1ccccn1
InChIInChI=1S/C14H17NS/c1-3-4-5-8-13(2)11-16-12-14-9-6-7-10-15-14/h3-10H,2,11-12H2,1H3/b4-3-,8-5-
InChIKeySFXSXXGQDGTOSG-UBNNFMAXSA-N
MW231.36 g/mol
LogP4.00
Rot. Bonds6

About 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine

2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine (PubChem CID 144892259) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine
PubChem CID144892259
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine
SMILESC=C(/C=C\C=C/C)CSCc1ccccn1
InChIInChI=1S/C14H17NS/c1-3-4-5-8-13(2)11-16-12-14-9-6-7-10-15-14/h3-10H,2,11-12H2,1H3/b4-3-,8-5-
InChIKeySFXSXXGQDGTOSG-UBNNFMAXSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine?
The IUPAC name of 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine (CID 144892259) is 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine?
The canonical SMILES for 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine is C=C(/C=C\C=C/C)CSCc1ccccn1.
What is the InChIKey of 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine?
The InChIKey is SFXSXXGQDGTOSG-UBNNFMAXSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-4-5-8-13(2)11-16-12-14-9-6-7-10-15-14/h3-10H,2,11-12H2,1H3/b4-3-,8-5-.
What are the key properties of 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine?
2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine has a molecular weight of 231.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine is sourced from PubChem (CID 144892259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).