(Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride

C10H18ClNO2S — CID 117267728

IUPAC(Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride
SMILESCN1CCCCC1C/C=C\CS(=O)(=O)Cl
InChIInChI=1S/C10H18ClNO2S/c1-12-8-4-2-6-10(12)7-3-5-9-15(11,13)14/h3,5,10H,2,4,6-9H2,1H3/b5-3-
InChIKeyJBAVZCOLBLMVNO-HYXAFXHYSA-N
MW251.78 g/mol
LogP1.99
Rot. Bonds4

About (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride

(Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride (PubChem CID 117267728) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride
PubChem CID117267728
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC Name(Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride
SMILESCN1CCCCC1C/C=C\CS(=O)(=O)Cl
InChIInChI=1S/C10H18ClNO2S/c1-12-8-4-2-6-10(12)7-3-5-9-15(11,13)14/h3,5,10H,2,4,6-9H2,1H3/b5-3-
InChIKeyJBAVZCOLBLMVNO-HYXAFXHYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 51.99
H-Bond Donors ≤ 50
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 (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride (CID 117267728) is (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride is CN1CCCCC1C/C=C\CS(=O)(=O)Cl.
What is the InChIKey of (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride?
The InChIKey is JBAVZCOLBLMVNO-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H18ClNO2S/c1-12-8-4-2-6-10(12)7-3-5-9-15(11,13)14/h3,5,10H,2,4,6-9H2,1H3/b5-3-.
What are the key properties of (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride?
(Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride has a molecular weight of 251.78 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-methylpiperidin-2-yl)but-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 117267728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).