1-ethylpyrrolidine-2-thione

C6H11NS — CID 14916596

IUPAC1-ethylpyrrolidine-2-thione
SMILESCCN1CCCC1=S
InChIInChI=1S/C6H11NS/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
InChIKeyIXFJKJYIPCPYDY-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.43
Rot. Bonds1

About 1-ethylpyrrolidine-2-thione

1-ethylpyrrolidine-2-thione (PubChem CID 14916596) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-ethylpyrrolidine-2-thione.

Molecular Properties

Compound Name1-ethylpyrrolidine-2-thione
PubChem CID14916596
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1-ethylpyrrolidine-2-thione
SMILESCCN1CCCC1=S
InChIInChI=1S/C6H11NS/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
InChIKeyIXFJKJYIPCPYDY-UHFFFAOYSA-N
XLogP1.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidine-2-thione?
The IUPAC name of 1-ethylpyrrolidine-2-thione (CID 14916596) is 1-ethylpyrrolidine-2-thione.
What is the SMILES notation for 1-ethylpyrrolidine-2-thione?
The canonical SMILES for 1-ethylpyrrolidine-2-thione is CCN1CCCC1=S.
What is the InChIKey of 1-ethylpyrrolidine-2-thione?
The InChIKey is IXFJKJYIPCPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3.
What are the key properties of 1-ethylpyrrolidine-2-thione?
1-ethylpyrrolidine-2-thione has a molecular weight of 129.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine-2-thione is sourced from PubChem (CID 14916596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).