(1-ethylpyrrolidin-3-yl)methanethiol

C7H15NS — CID 20622967

IUPAC(1-ethylpyrrolidin-3-yl)methanethiol
SMILESCCN1CCC(CS)C1
InChIInChI=1S/C7H15NS/c1-2-8-4-3-7(5-8)6-9/h7,9H,2-6H2,1H3
InChIKeyXDHDUXHKRNBGBS-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.26
Rot. Bonds2

About (1-ethylpyrrolidin-3-yl)methanethiol

(1-ethylpyrrolidin-3-yl)methanethiol (PubChem CID 20622967) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (1-ethylpyrrolidin-3-yl)methanethiol.

Molecular Properties

Compound Name(1-ethylpyrrolidin-3-yl)methanethiol
PubChem CID20622967
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(1-ethylpyrrolidin-3-yl)methanethiol
SMILESCCN1CCC(CS)C1
InChIInChI=1S/C7H15NS/c1-2-8-4-3-7(5-8)6-9/h7,9H,2-6H2,1H3
InChIKeyXDHDUXHKRNBGBS-UHFFFAOYSA-N
XLogP1.26
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-ethylpyrrolidin-3-yl)methanethiol 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-ethylpyrrolidin-3-yl)methanethiol?
The IUPAC name of (1-ethylpyrrolidin-3-yl)methanethiol (CID 20622967) is (1-ethylpyrrolidin-3-yl)methanethiol.
What is the SMILES notation for (1-ethylpyrrolidin-3-yl)methanethiol?
The canonical SMILES for (1-ethylpyrrolidin-3-yl)methanethiol is CCN1CCC(CS)C1.
What is the InChIKey of (1-ethylpyrrolidin-3-yl)methanethiol?
The InChIKey is XDHDUXHKRNBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-8-4-3-7(5-8)6-9/h7,9H,2-6H2,1H3.
What are the key properties of (1-ethylpyrrolidin-3-yl)methanethiol?
(1-ethylpyrrolidin-3-yl)methanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrolidin-3-yl)methanethiol is sourced from PubChem (CID 20622967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).