1-(8-ethenylsulfanyloctyl)pyrrolidine

C14H27NS — CID 54275168

IUPAC1-(8-ethenylsulfanyloctyl)pyrrolidine
SMILESC=CSCCCCCCCCN1CCCC1
InChIInChI=1S/C14H27NS/c1-2-16-14-10-6-4-3-5-7-11-15-12-8-9-13-15/h2H,1,3-14H2
InChIKeyRMXFHDISEPHASU-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.30
Rot. Bonds10

About 1-(8-ethenylsulfanyloctyl)pyrrolidine

1-(8-ethenylsulfanyloctyl)pyrrolidine (PubChem CID 54275168) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-(8-ethenylsulfanyloctyl)pyrrolidine.

Molecular Properties

Compound Name1-(8-ethenylsulfanyloctyl)pyrrolidine
PubChem CID54275168
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-(8-ethenylsulfanyloctyl)pyrrolidine
SMILESC=CSCCCCCCCCN1CCCC1
InChIInChI=1S/C14H27NS/c1-2-16-14-10-6-4-3-5-7-11-15-12-8-9-13-15/h2H,1,3-14H2
InChIKeyRMXFHDISEPHASU-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hept-6-enylpiperidine
CID 143080853
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-pentylpiperidine;prop-1-ene
CID 174775307
1-[5-(5-pyrrolidin-1-ylpentylsulfanylsulfonylsulfanyl)pentyl]pyrrolidine
CID 174810833
1-dodecylazepane
CID 3366129
1-octylazonane
CID 20533821
1-decylpiperidine
CID 4649960
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethenylsulfanyloctyl)pyrrolidine?
The IUPAC name of 1-(8-ethenylsulfanyloctyl)pyrrolidine (CID 54275168) is 1-(8-ethenylsulfanyloctyl)pyrrolidine.
What is the SMILES notation for 1-(8-ethenylsulfanyloctyl)pyrrolidine?
The canonical SMILES for 1-(8-ethenylsulfanyloctyl)pyrrolidine is C=CSCCCCCCCCN1CCCC1.
What is the InChIKey of 1-(8-ethenylsulfanyloctyl)pyrrolidine?
The InChIKey is RMXFHDISEPHASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-2-16-14-10-6-4-3-5-7-11-15-12-8-9-13-15/h2H,1,3-14H2.
What are the key properties of 1-(8-ethenylsulfanyloctyl)pyrrolidine?
1-(8-ethenylsulfanyloctyl)pyrrolidine has a molecular weight of 241.44 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethenylsulfanyloctyl)pyrrolidine is sourced from PubChem (CID 54275168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).