(E)-2-(1-methylpyrrolidin-2-yl)ethenethiol

C7H13NS — CID 164922017

IUPAC(E)-2-(1-methylpyrrolidin-2-yl)ethenethiol
SMILESCN1CCCC1/C=C/S
InChIInChI=1S/C7H13NS/c1-8-5-2-3-7(8)4-6-9/h4,6-7,9H,2-3,5H2,1H3/b6-4+
InChIKeyKWUWQGYFXNPKQM-GQCTYLIASA-N
MW143.26 g/mol
LogP1.52
Rot. Bonds1

About (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol

(E)-2-(1-methylpyrrolidin-2-yl)ethenethiol (PubChem CID 164922017) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol.

Molecular Properties

Compound Name(E)-2-(1-methylpyrrolidin-2-yl)ethenethiol
PubChem CID164922017
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name(E)-2-(1-methylpyrrolidin-2-yl)ethenethiol
SMILESCN1CCCC1/C=C/S
InChIInChI=1S/C7H13NS/c1-8-5-2-3-7(8)4-6-9/h4,6-7,9H,2-3,5H2,1H3/b6-4+
InChIKeyKWUWQGYFXNPKQM-GQCTYLIASA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol 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 (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol?
The IUPAC name of (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol (CID 164922017) is (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol.
What is the SMILES notation for (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol?
The canonical SMILES for (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol is CN1CCCC1/C=C/S.
What is the InChIKey of (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol?
The InChIKey is KWUWQGYFXNPKQM-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13NS/c1-8-5-2-3-7(8)4-6-9/h4,6-7,9H,2-3,5H2,1H3/b6-4+.
What are the key properties of (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol?
(E)-2-(1-methylpyrrolidin-2-yl)ethenethiol has a molecular weight of 143.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-methylpyrrolidin-2-yl)ethenethiol is sourced from PubChem (CID 164922017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).