1-pyrrolidin-1-ylethanethione

C6H11NS — CID 10855481

IUPAC1-pyrrolidin-1-ylethanethione
SMILESCC(=S)N1CCCC1
InChIInChI=1S/C6H11NS/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
InChIKeyAULOLBKARZZVAD-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.43
Rot. Bonds

About 1-pyrrolidin-1-ylethanethione

1-pyrrolidin-1-ylethanethione (PubChem CID 10855481) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylethanethione.

Molecular Properties

Compound Name1-pyrrolidin-1-ylethanethione
PubChem CID10855481
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1-pyrrolidin-1-ylethanethione
SMILESCC(=S)N1CCCC1
InChIInChI=1S/C6H11NS/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
InChIKeyAULOLBKARZZVAD-UHFFFAOYSA-N
XLogP1.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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'}

Analyze 1-pyrrolidin-1-ylethanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolidinecarbodithioic acid
CID 65351
Sodium pyrrolidine-1-carbodithioate
CID 3538605
Pyrrolidine-1-carbodithioate
CID 4311638
1-Methylpyrrolidine-2-thione
CID 575447
N,N-diethylpropanethioamide
CID 638150
1-(2,2-Dimethylpropanethioyl)pyrrolidine
CID 10888367
Pyrrolidine-1-carbothioyl chloride
CID 12605849
1-Methylpyrrolidine-2,5-dithione
CID 13265985
s-Propylthiopyrrolidone
CID 22966757
Potassium pyrrolidine-1-carbodithioate
CID 23705233
Pyrrolidine-1-carbothialdehyde
CID 12265023
1-Ethylpyrrolidine-2-thione
CID 14916596

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylethanethione?
The IUPAC name of 1-pyrrolidin-1-ylethanethione (CID 10855481) is 1-pyrrolidin-1-ylethanethione.
What is the SMILES notation for 1-pyrrolidin-1-ylethanethione?
The canonical SMILES for 1-pyrrolidin-1-ylethanethione is CC(=S)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylethanethione?
The InChIKey is AULOLBKARZZVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylethanethione?
1-pyrrolidin-1-ylethanethione has a molecular weight of 129.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylethanethione is sourced from PubChem (CID 10855481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).