2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine

C11H21NO2S — CID 82182480

IUPAC2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine
SMILESC=C(C)CS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C11H21NO2S/c1-10(2)9-15(13,14)8-6-11-5-3-4-7-12-11/h11-12H,1,3-9H2,2H3
InChIKeyMMNONWKHTNLFJT-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.51
Rot. Bonds5

About 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine

2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine (PubChem CID 82182480) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine
PubChem CID82182480
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine
SMILESC=C(C)CS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C11H21NO2S/c1-10(2)9-15(13,14)8-6-11-5-3-4-7-12-11/h11-12H,1,3-9H2,2H3
InChIKeyMMNONWKHTNLFJT-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
N-cyclopropyl-N-ethyl-2-piperidin-2-ylethanesulfonamide
CID 54972623
N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 62337343
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
2-(2-tert-butylsulfonylethyl)pyrrolidine
CID 84685127
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 63700740
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine?
The IUPAC name of 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine (CID 82182480) is 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine is C=C(C)CS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine?
The InChIKey is MMNONWKHTNLFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2)9-15(13,14)8-6-11-5-3-4-7-12-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine?
2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine has a molecular weight of 231.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enylsulfonyl)ethyl]piperidine is sourced from PubChem (CID 82182480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).