1-ethenylsulfanylpyrrolidine

C6H11NS — CID 141062677

IUPAC1-ethenylsulfanylpyrrolidine
SMILESC=CSN1CCCC1
InChIInChI=1S/C6H11NS/c1-2-8-7-5-3-4-6-7/h2H,1,3-6H2
InChIKeyTXTSKQLIFFUVKW-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.87
Rot. Bonds2

About 1-ethenylsulfanylpyrrolidine

1-ethenylsulfanylpyrrolidine (PubChem CID 141062677) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-ethenylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-ethenylsulfanylpyrrolidine
PubChem CID141062677
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1-ethenylsulfanylpyrrolidine
SMILESC=CSN1CCCC1
InChIInChI=1S/C6H11NS/c1-2-8-7-5-3-4-6-7/h2H,1,3-6H2
InChIKeyTXTSKQLIFFUVKW-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propylsulfanylpyrrolidine
CID 85899412
1-Prop-2-enylsulfanylpyrrolidine
CID 88622384
1-Ethylsulfanylpyrrolidine
CID 126647352
2-Butyl-1,2-thiazolidine
CID 141983299
1-(2-Ethenylsulfanylethyl)pyrrolidine
CID 154140334
2-Prop-2-enyl-1,2-thiazolidine
CID 173075063
1-Ethenylsulfinylpyrrolidine
CID 142525136
1-Propan-2-ylsulfanylpyrrolidine
CID 144111406
Ethenyl-methylidene-pyrrolidin-1-yl-lambda4-sulfane
CID 166115326
1-[(E)-prop-1-enyl]sulfanylpyrrolidine
CID 168983806

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanylpyrrolidine?
The IUPAC name of 1-ethenylsulfanylpyrrolidine (CID 141062677) is 1-ethenylsulfanylpyrrolidine.
What is the SMILES notation for 1-ethenylsulfanylpyrrolidine?
The canonical SMILES for 1-ethenylsulfanylpyrrolidine is C=CSN1CCCC1.
What is the InChIKey of 1-ethenylsulfanylpyrrolidine?
The InChIKey is TXTSKQLIFFUVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-8-7-5-3-4-6-7/h2H,1,3-6H2.
What are the key properties of 1-ethenylsulfanylpyrrolidine?
1-ethenylsulfanylpyrrolidine has a molecular weight of 129.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanylpyrrolidine is sourced from PubChem (CID 141062677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).