2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine

C15H20ClNO2S — CID 138014984

IUPAC2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine
SMILESC=CS(=O)(=O)CCN1CCCCC1c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2S/c1-2-20(18,19)11-10-17-9-4-3-8-15(17)13-6-5-7-14(16)12-13/h2,5-7,12,15H,1,3-4,8-11H2
InChIKeyMZNFHRGIXHALKT-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine

2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine (PubChem CID 138014984) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine
PubChem CID138014984
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine
SMILESC=CS(=O)(=O)CCN1CCCCC1c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2S/c1-2-20(18,19)11-10-17-9-4-3-8-15(17)13-6-5-7-14(16)12-13/h2,5-7,12,15H,1,3-4,8-11H2
InChIKeyMZNFHRGIXHALKT-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine
CID 97332250
2-(2,5-dimethylphenyl)-1-(2-ethenylsulfonylethyl)pyrrolidine
CID 138051001
2-[4-[2-[2-(3-chlorophenyl)piperidin-1-yl]ethyl]triazol-1-yl]acetic acid
CID 146135008
2-(3-chlorophenyl)-1-propylsulfonylpyrrolidine
CID 61384264
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977
3-[[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole
CID 129367242
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 46802382
phenyl 2-(2-phenylpyrrolidin-1-yl)ethanesulfonate
CID 22830017

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine (CID 138014984) is 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine is C=CS(=O)(=O)CCN1CCCCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine?
The InChIKey is MZNFHRGIXHALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-2-20(18,19)11-10-17-9-4-3-8-15(17)13-6-5-7-14(16)12-13/h2,5-7,12,15H,1,3-4,8-11H2.
What are the key properties of 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine?
2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine has a molecular weight of 313.85 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine is sourced from PubChem (CID 138014984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).