2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine

C11H19NS — CID 175646577

IUPAC2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine
SMILESC(=C/C1CCCS1)\C1CCCCN1
InChIInChI=1S/C11H19NS/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h6-7,10-12H,1-5,8-9H2/b7-6+
InChIKeyYCXBMBWDFGDDJA-VOTSOKGWSA-N
MW197.35 g/mol
LogP2.58
Rot. Bonds2

About 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine

2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine (PubChem CID 175646577) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine.

Molecular Properties

Compound Name2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine
PubChem CID175646577
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine
SMILESC(=C/C1CCCS1)\C1CCCCN1
InChIInChI=1S/C11H19NS/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h6-7,10-12H,1-5,8-9H2/b7-6+
InChIKeyYCXBMBWDFGDDJA-VOTSOKGWSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.58
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 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine?
The IUPAC name of 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine (CID 175646577) is 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine.
What is the SMILES notation for 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine?
The canonical SMILES for 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine is C(=C/C1CCCS1)\C1CCCCN1.
What is the InChIKey of 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine?
The InChIKey is YCXBMBWDFGDDJA-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19NS/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h6-7,10-12H,1-5,8-9H2/b7-6+.
What are the key properties of 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine?
2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine has a molecular weight of 197.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(thiolan-2-yl)ethenyl]piperidine is sourced from PubChem (CID 175646577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).