1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride

C9H16ClNO2S — CID 117266512

IUPAC1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
SMILESC=C(C1CCN(CC)CC1)S(=O)(=O)Cl
InChIInChI=1S/C9H16ClNO2S/c1-3-11-6-4-9(5-7-11)8(2)14(10,12)13/h9H,2-7H2,1H3
InChIKeyUYNHHMFKUNLWFT-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.80
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride

1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride (PubChem CID 117266512) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
PubChem CID117266512
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
SMILESC=C(C1CCN(CC)CC1)S(=O)(=O)Cl
InChIInChI=1S/C9H16ClNO2S/c1-3-11-6-4-9(5-7-11)8(2)14(10,12)13/h9H,2-7H2,1H3
InChIKeyUYNHHMFKUNLWFT-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride (CID 117266512) is 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride is C=C(C1CCN(CC)CC1)S(=O)(=O)Cl.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
The InChIKey is UYNHHMFKUNLWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-3-11-6-4-9(5-7-11)8(2)14(10,12)13/h9H,2-7H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride has a molecular weight of 237.75 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117266512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).