1-ethylpyrrolidine-3-thiol

C6H13NS — CID 19934161

IUPAC1-ethylpyrrolidine-3-thiol
SMILESCCN1CCC(S)C1
InChIInChI=1S/C6H13NS/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyRBDLBCQORJYMSH-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.01
Rot. Bonds1

About 1-ethylpyrrolidine-3-thiol

1-ethylpyrrolidine-3-thiol (PubChem CID 19934161) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-ethylpyrrolidine-3-thiol.

Molecular Properties

Compound Name1-ethylpyrrolidine-3-thiol
PubChem CID19934161
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-ethylpyrrolidine-3-thiol
SMILESCCN1CCC(S)C1
InChIInChI=1S/C6H13NS/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyRBDLBCQORJYMSH-UHFFFAOYSA-N
XLogP1.01
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-ethylpyrrolidine-3-thiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidine-3-thiol?
The IUPAC name of 1-ethylpyrrolidine-3-thiol (CID 19934161) is 1-ethylpyrrolidine-3-thiol.
What is the SMILES notation for 1-ethylpyrrolidine-3-thiol?
The canonical SMILES for 1-ethylpyrrolidine-3-thiol is CCN1CCC(S)C1.
What is the InChIKey of 1-ethylpyrrolidine-3-thiol?
The InChIKey is RBDLBCQORJYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-ethylpyrrolidine-3-thiol?
1-ethylpyrrolidine-3-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine-3-thiol is sourced from PubChem (CID 19934161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).