1-[1-(decyldisulfanyl)ethenyl]pyrrolidine

C16H31NS2 — CID 167259574

IUPAC1-[1-(decyldisulfanyl)ethenyl]pyrrolidine
SMILESC=C(SSCCCCCCCCCC)N1CCCC1
InChIInChI=1S/C16H31NS2/c1-3-4-5-6-7-8-9-12-15-18-19-16(2)17-13-10-11-14-17/h2-15H2,1H3
InChIKeyHGUASCOYFCESMQ-UHFFFAOYSA-N
MW301.57 g/mol
LogP6.08
Rot. Bonds12

About 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine

1-[1-(decyldisulfanyl)ethenyl]pyrrolidine (PubChem CID 167259574) has the molecular formula C16H31NS2 and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(decyldisulfanyl)ethenyl]pyrrolidine
PubChem CID167259574
Molecular FormulaC16H31NS2
Molecular Weight301.57 g/mol
Exact Mass301.19
IUPAC Name1-[1-(decyldisulfanyl)ethenyl]pyrrolidine
SMILESC=C(SSCCCCCCCCCC)N1CCCC1
InChIInChI=1S/C16H31NS2/c1-3-4-5-6-7-8-9-12-15-18-19-16(2)17-13-10-11-14-17/h2-15H2,1H3
InChIKeyHGUASCOYFCESMQ-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(pyrrolidine-1-carbothioyldisulfanyl)decylsulfanyl pyrrolidine-1-carbodithioate
CID 54460594
1,4-bis(decylsulfanyl)piperazine
CID 163559724
1-hex-1-en-2-ylpyrrolidine
CID 18511208
1-(hydroxydisulfanyl)hexadecane
CID 87645981
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(hexyltrisulfanyl)octadecane
CID 140815608
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
1-dodecylsulfanyldodecane;2-methylprop-1-ene
CID 88731676
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
dihexyl piperazine-1,4-dicarbodithioate
CID 10549351
1-piperidin-1-yloctane-1-thione
CID 45118754
methyl (hexyldisulfanyl)formate
CID 88806966

Frequently Asked Questions

What is the IUPAC name of 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine?
The IUPAC name of 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine (CID 167259574) is 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine is C=C(SSCCCCCCCCCC)N1CCCC1.
What is the InChIKey of 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine?
The InChIKey is HGUASCOYFCESMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS2/c1-3-4-5-6-7-8-9-12-15-18-19-16(2)17-13-10-11-14-17/h2-15H2,1H3.
What are the key properties of 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine?
1-[1-(decyldisulfanyl)ethenyl]pyrrolidine has a molecular weight of 301.57 g/mol, XLogP of 6.08, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(decyldisulfanyl)ethenyl]pyrrolidine is sourced from PubChem (CID 167259574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).