2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine

C14H25NS — CID 166818270

IUPAC2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine
SMILESC=CCCCSC1CC(C)(C)C(C=C)N1C
InChIInChI=1S/C14H25NS/c1-6-8-9-10-16-13-11-14(3,4)12(7-2)15(13)5/h6-7,12-13H,1-2,8-11H2,3-5H3
InChIKeyWAFZWGVXGTWXHH-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.93
Rot. Bonds6

About 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine

2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine (PubChem CID 166818270) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine
PubChem CID166818270
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine
SMILESC=CCCCSC1CC(C)(C)C(C=C)N1C
InChIInChI=1S/C14H25NS/c1-6-8-9-10-16-13-11-14(3,4)12(7-2)15(13)5/h6-7,12-13H,1-2,8-11H2,3-5H3
InChIKeyWAFZWGVXGTWXHH-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine?
The IUPAC name of 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine (CID 166818270) is 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine.
What is the SMILES notation for 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine?
The canonical SMILES for 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine is C=CCCCSC1CC(C)(C)C(C=C)N1C.
What is the InChIKey of 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine?
The InChIKey is WAFZWGVXGTWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-6-8-9-10-16-13-11-14(3,4)12(7-2)15(13)5/h6-7,12-13H,1-2,8-11H2,3-5H3.
What are the key properties of 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine?
2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine has a molecular weight of 239.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,3-trimethyl-5-pent-4-enylsulfanylpyrrolidine is sourced from PubChem (CID 166818270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).