(Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride

C8H14ClNO2S — CID 117265922

IUPAC(Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCNC1
InChIInChI=1S/C8H14ClNO2S/c9-13(11,12)6-2-4-8-3-1-5-10-7-8/h2,6,8,10H,1,3-5,7H2/b6-2-
InChIKeyUDYKZTYCSXBNRN-KXFIGUGUSA-N
MW223.72 g/mol
LogP1.46
Rot. Bonds3

About (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride

(Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride (PubChem CID 117265922) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride
PubChem CID117265922
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name(Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCNC1
InChIInChI=1S/C8H14ClNO2S/c9-13(11,12)6-2-4-8-3-1-5-10-7-8/h2,6,8,10H,1,3-5,7H2/b6-2-
InChIKeyUDYKZTYCSXBNRN-KXFIGUGUSA-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 (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride (CID 117265922) is (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCCNC1.
What is the InChIKey of (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride?
The InChIKey is UDYKZTYCSXBNRN-KXFIGUGUSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c9-13(11,12)6-2-4-8-3-1-5-10-7-8/h2,6,8,10H,1,3-5,7H2/b6-2-.
What are the key properties of (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride?
(Z)-3-piperidin-3-ylprop-1-ene-1-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 (Z)-3-piperidin-3-ylprop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).