(Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride

C9H16ClNO2S — CID 117265869

IUPAC(Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
SMILESCCN1CCC(/C=C\S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H16ClNO2S/c1-2-11-6-3-9(4-7-11)5-8-14(10,12)13/h5,8-9H,2-4,6-7H2,1H3/b8-5-
InChIKeyISKFWMXCLXGTTB-YVMONPNESA-N
MW237.75 g/mol
LogP1.80
Rot. Bonds3

About (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride

(Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride (PubChem CID 117265869) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
PubChem CID117265869
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name(Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
SMILESCCN1CCC(/C=C\S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H16ClNO2S/c1-2-11-6-3-9(4-7-11)5-8-14(10,12)13/h5,8-9H,2-4,6-7H2,1H3/b8-5-
InChIKeyISKFWMXCLXGTTB-YVMONPNESA-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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Related Compounds

(Z)-3-(1-ethylpiperidin-4-yl)prop-2-ene-1-sulfonyl chloride
CID 117267359
(Z)-2-cyclopropylethenesulfonyl chloride
CID 117265972
4-ethenyl-1-ethylpiperidine;hydrobromide
CID 175127367
1-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride
CID 117266512
1-ethylpyrrolidine-3-carbaldehyde
CID 84647972
(3R)-1-ethylpyrrolidine-3-carbaldehyde
CID 97182013
4-[(E)-2-(1-ethylpiperidin-4-yl)ethenyl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylbutanamide
CID 155007263
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
ethane;1-ethyl-4-methylpiperidine
CID 143737046
(NE,S)-N-[(1-ethylpiperidin-4-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 142332371
5-chloro-N-(1-ethylpiperidin-4-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 35324425

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
The IUPAC name of (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride (CID 117265869) is (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride.
What is the SMILES notation for (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
The canonical SMILES for (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride is CCN1CCC(/C=C\S(=O)(=O)Cl)CC1.
What is the InChIKey of (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
The InChIKey is ISKFWMXCLXGTTB-YVMONPNESA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-2-11-6-3-9(4-7-11)5-8-14(10,12)13/h5,8-9H,2-4,6-7H2,1H3/b8-5-.
What are the key properties of (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride?
(Z)-2-(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 (Z)-2-(1-ethylpiperidin-4-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117265869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).