1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine

C8H15NS — CID 57431074

IUPAC1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine
SMILESCSC/C=C/N1CCCC1
InChIInChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,7H,2-3,5-6,8H2,1H3/b7-4+
InChIKeyBMSSGGXYUPVELN-QPJJXVBHSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds3

About 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine

1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine (PubChem CID 57431074) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine
PubChem CID57431074
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine
SMILESCSC/C=C/N1CCCC1
InChIInChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,7H,2-3,5-6,8H2,1H3/b7-4+
InChIKeyBMSSGGXYUPVELN-QPJJXVBHSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine 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)-3-methylsulfanylprop-1-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine (CID 57431074) is 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine is CSC/C=C/N1CCCC1.
What is the InChIKey of 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine?
The InChIKey is BMSSGGXYUPVELN-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,7H,2-3,5-6,8H2,1H3/b7-4+.
What are the key properties of 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine?
1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine is sourced from PubChem (CID 57431074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).