ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane

C7H13NS — CID 166115326

IUPACethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane
SMILESC=CS(=C)N1CCCC1
InChIInChI=1S/C7H13NS/c1-3-9(2)8-6-4-5-7-8/h3H,1-2,4-7H2
InChIKeyJCGSBGCSAMQUJJ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.84
Rot. Bonds2

About ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane

ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane (PubChem CID 166115326) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane.

Molecular Properties

Compound Nameethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane
PubChem CID166115326
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Nameethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane
SMILESC=CS(=C)N1CCCC1
InChIInChI=1S/C7H13NS/c1-3-9(2)8-6-4-5-7-8/h3H,1-2,4-7H2
InChIKeyJCGSBGCSAMQUJJ-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane with MolForge

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

Launch Full Analysis

Related Compounds

1-Prop-2-enylsulfanylpyrrolidine
CID 88622384
1-Ethenylsulfanylpyrrolidine
CID 141062677
1-(2-Ethenylsulfanylethyl)pyrrolidine
CID 154140334
1-Ethenylsulfinylpyrrolidine
CID 142525136
Ethyl-methylidene-pyrrolidin-1-yl-lambda4-sulfane
CID 154648202

Frequently Asked Questions

What is the IUPAC name of ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
The IUPAC name of ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane (CID 166115326) is ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane.
What is the SMILES notation for ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
The canonical SMILES for ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane is C=CS(=C)N1CCCC1.
What is the InChIKey of ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
The InChIKey is JCGSBGCSAMQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-9(2)8-6-4-5-7-8/h3H,1-2,4-7H2.
What are the key properties of ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane has a molecular weight of 143.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methylidene-pyrrolidin-1-yl-λ4-sulfane is sourced from PubChem (CID 166115326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).