1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine

Name: 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₅NS — CID 156519991

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine

SMILESCS/C=C/CN1CCCC1

InChIInChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,8H,2-3,5-7H2,1H3/b8-4+

InChIKeyIRSOYUYVCKASQU-XBXARRHUSA-N

MW157.28 g/mol

LogP1.96

Rot. Bonds3

About 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine

1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine (PubChem CID 156519991) has the molecular formula C₈H₁₅NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name	1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine
PubChem CID	156519991
Molecular Formula	C₈H₁₅NS
Molecular Weight	157.28 g/mol
Exact Mass	157.09
IUPAC Name	1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine
SMILES	CS/C=C/CN1CCCC1
InChI	InChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,8H,2-3,5-7H2,1H3/b8-4+
InChIKey	IRSOYUYVCKASQU-XBXARRHUSA-N
XLogP	1.96
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	10
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.28
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine?

The IUPAC name of 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine (CID 156519991) is 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine.

What is the SMILES notation for 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine?

The canonical SMILES for 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine is CS/C=C/CN1CCCC1.

What is the InChIKey of 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine?

The InChIKey is IRSOYUYVCKASQU-XBXARRHUSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-8-4-7-9-5-2-3-6-9/h4,8H,2-3,5-7H2,1H3/b8-4+.

What are the key properties of 1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine?

1-[(E)-3-methylsulfanylprop-2-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-2-enyl]pyrrolidine is sourced from PubChem (CID 156519991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156519991 — identifiers, structure, computed properties (public domain)

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