3-ethenyl-3-methylsulfanylpyrrolidine

C7H13NS — CID 143851764

IUPAC3-ethenyl-3-methylsulfanylpyrrolidine
SMILESC=CC1(SC)CCNC1
InChIInChI=1S/C7H13NS/c1-3-7(9-2)4-5-8-6-7/h3,8H,1,4-6H2,2H3
InChIKeyASHHEHNBYCHXBH-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.27
Rot. Bonds2

About 3-ethenyl-3-methylsulfanylpyrrolidine

3-ethenyl-3-methylsulfanylpyrrolidine (PubChem CID 143851764) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-ethenyl-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-ethenyl-3-methylsulfanylpyrrolidine
PubChem CID143851764
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-ethenyl-3-methylsulfanylpyrrolidine
SMILESC=CC1(SC)CCNC1
InChIInChI=1S/C7H13NS/c1-3-7(9-2)4-5-8-6-7/h3,8H,1,4-6H2,2H3
InChIKeyASHHEHNBYCHXBH-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methylsulfanylpyrrolidine?
The IUPAC name of 3-ethenyl-3-methylsulfanylpyrrolidine (CID 143851764) is 3-ethenyl-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 3-ethenyl-3-methylsulfanylpyrrolidine?
The canonical SMILES for 3-ethenyl-3-methylsulfanylpyrrolidine is C=CC1(SC)CCNC1.
What is the InChIKey of 3-ethenyl-3-methylsulfanylpyrrolidine?
The InChIKey is ASHHEHNBYCHXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-7(9-2)4-5-8-6-7/h3,8H,1,4-6H2,2H3.
What are the key properties of 3-ethenyl-3-methylsulfanylpyrrolidine?
3-ethenyl-3-methylsulfanylpyrrolidine has a molecular weight of 143.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 143851764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).