1-[(E)-prop-1-enyl]sulfanylpyrrolidine

C7H13NS — CID 168983806

IUPAC1-[(E)-prop-1-enyl]sulfanylpyrrolidine
SMILESC/C=C/SN1CCCC1
InChIInChI=1S/C7H13NS/c1-2-7-9-8-5-3-4-6-8/h2,7H,3-6H2,1H3/b7-2+
InChIKeyDJFWQSMVKXQDKB-FARCUNLSSA-N
MW143.25 g/mol
LogP2.26
Rot. Bonds2

About 1-[(E)-prop-1-enyl]sulfanylpyrrolidine

1-[(E)-prop-1-enyl]sulfanylpyrrolidine (PubChem CID 168983806) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]sulfanylpyrrolidine.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]sulfanylpyrrolidine
PubChem CID168983806
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-[(E)-prop-1-enyl]sulfanylpyrrolidine
SMILESC/C=C/SN1CCCC1
InChIInChI=1S/C7H13NS/c1-2-7-9-8-5-3-4-6-8/h2,7H,3-6H2,1H3/b7-2+
InChIKeyDJFWQSMVKXQDKB-FARCUNLSSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-prop-1-enyl]sulfanylpyrrolidine 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-[(E)-prop-1-enyl]sulfanylpyrrolidine?
The IUPAC name of 1-[(E)-prop-1-enyl]sulfanylpyrrolidine (CID 168983806) is 1-[(E)-prop-1-enyl]sulfanylpyrrolidine.
What is the SMILES notation for 1-[(E)-prop-1-enyl]sulfanylpyrrolidine?
The canonical SMILES for 1-[(E)-prop-1-enyl]sulfanylpyrrolidine is C/C=C/SN1CCCC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]sulfanylpyrrolidine?
The InChIKey is DJFWQSMVKXQDKB-FARCUNLSSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-7-9-8-5-3-4-6-8/h2,7H,3-6H2,1H3/b7-2+.
What are the key properties of 1-[(E)-prop-1-enyl]sulfanylpyrrolidine?
1-[(E)-prop-1-enyl]sulfanylpyrrolidine has a molecular weight of 143.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]sulfanylpyrrolidine is sourced from PubChem (CID 168983806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).