2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride

C8H14ClNO2S — CID 117268279

IUPAC2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride
SMILESC=C(CS(=O)(=O)Cl)C1CCNCC1
InChIInChI=1S/C8H14ClNO2S/c1-7(6-13(9,11)12)8-2-4-10-5-3-8/h8,10H,1-6H2
InChIKeyMIGLECCICFUYRE-UHFFFAOYSA-N
MW223.72 g/mol
LogP1.11
Rot. Bonds3

About 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride

2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride (PubChem CID 117268279) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride
PubChem CID117268279
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride
SMILESC=C(CS(=O)(=O)Cl)C1CCNCC1
InChIInChI=1S/C8H14ClNO2S/c1-7(6-13(9,11)12)8-2-4-10-5-3-8/h8,10H,1-6H2
InChIKeyMIGLECCICFUYRE-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-piperidin-4-ylprop-2-ene-1-sulfonyl chloride?
The IUPAC name of 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride (CID 117268279) is 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride is C=C(CS(=O)(=O)Cl)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride?
The InChIKey is MIGLECCICFUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-7(6-13(9,11)12)8-2-4-10-5-3-8/h8,10H,1-6H2.
What are the key properties of 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride?
2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride has a molecular weight of 223.72 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 117268279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).