3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride

C8H14ClNO2S — CID 117266566

IUPAC3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride
SMILESC=C(CC1CCCNC1)S(=O)(=O)Cl
InChIInChI=1S/C8H14ClNO2S/c1-7(13(9,11)12)5-8-3-2-4-10-6-8/h8,10H,1-6H2
InChIKeyFLFGPVZQSZZMKR-UHFFFAOYSA-N
MW223.72 g/mol
LogP1.46
Rot. Bonds3

About 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride

3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride (PubChem CID 117266566) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride
PubChem CID117266566
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride
SMILESC=C(CC1CCCNC1)S(=O)(=O)Cl
InChIInChI=1S/C8H14ClNO2S/c1-7(13(9,11)12)5-8-3-2-4-10-6-8/h8,10H,1-6H2
InChIKeyFLFGPVZQSZZMKR-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride?
The IUPAC name of 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride (CID 117266566) is 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride.
What is the SMILES notation for 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride?
The canonical SMILES for 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride is C=C(CC1CCCNC1)S(=O)(=O)Cl.
What is the InChIKey of 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride?
The InChIKey is FLFGPVZQSZZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-7(13(9,11)12)5-8-3-2-4-10-6-8/h8,10H,1-6H2.
What are the key properties of 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride?
3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride has a molecular weight of 223.72 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-ylprop-1-ene-2-sulfonyl chloride is sourced from PubChem (CID 117266566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).