1-(2-ethenylsulfanylethyl)pyrrolidine

C8H15NS — CID 154140334

IUPAC1-(2-ethenylsulfanylethyl)pyrrolidine
SMILESC=CSCCN1CCCC1
InChIInChI=1S/C8H15NS/c1-2-10-8-7-9-5-3-4-6-9/h2H,1,3-8H2
InChIKeyXVQRGOVRKCKPOT-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds4

About 1-(2-ethenylsulfanylethyl)pyrrolidine

1-(2-ethenylsulfanylethyl)pyrrolidine (PubChem CID 154140334) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(2-ethenylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethenylsulfanylethyl)pyrrolidine
PubChem CID154140334
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(2-ethenylsulfanylethyl)pyrrolidine
SMILESC=CSCCN1CCCC1
InChIInChI=1S/C8H15NS/c1-2-10-8-7-9-5-3-4-6-9/h2H,1,3-8H2
InChIKeyXVQRGOVRKCKPOT-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
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-(2-Methylsulfanylethyl)pyrrolidine
CID 21653149
Trimethyl(2-pyrrolidin-1-ylethyl)-lambda4-sulfane
CID 123778666
1-(2-Methylsulfanylpropyl)pyrrolidine
CID 130223943
1-Ethenylsulfanylpyrrolidine
CID 141062677
1-(2-Ethenylsulfanylpropan-2-yl)pyrrolidine
CID 157676978
1-(Prop-2-enylsulfanylmethyl)pyrrolidine
CID 177980529
1-Methyl-1-(2-methylsulfanylethyl)pyrrolidin-1-ium
CID 132968856
Ethenyl-methylidene-pyrrolidin-1-yl-lambda4-sulfane
CID 166115326

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylsulfanylethyl)pyrrolidine?
The IUPAC name of 1-(2-ethenylsulfanylethyl)pyrrolidine (CID 154140334) is 1-(2-ethenylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethenylsulfanylethyl)pyrrolidine?
The canonical SMILES for 1-(2-ethenylsulfanylethyl)pyrrolidine is C=CSCCN1CCCC1.
What is the InChIKey of 1-(2-ethenylsulfanylethyl)pyrrolidine?
The InChIKey is XVQRGOVRKCKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-10-8-7-9-5-3-4-6-9/h2H,1,3-8H2.
What are the key properties of 1-(2-ethenylsulfanylethyl)pyrrolidine?
1-(2-ethenylsulfanylethyl)pyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 154140334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).