2-(4-ethylphenyl)sulfonylpiperidine

C13H19NO2S — CID 117036513

IUPAC2-(4-ethylphenyl)sulfonylpiperidine
SMILESCCc1ccc(S(=O)(=O)C2CCCCN2)cc1
InChIInChI=1S/C13H19NO2S/c1-2-11-6-8-12(9-7-11)17(15,16)13-5-3-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyXPEMFUOBEOBZFR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-ethylphenyl)sulfonylpiperidine

2-(4-ethylphenyl)sulfonylpiperidine (PubChem CID 117036513) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfonylpiperidine
PubChem CID117036513
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-ethylphenyl)sulfonylpiperidine
SMILESCCc1ccc(S(=O)(=O)C2CCCCN2)cc1
InChIInChI=1S/C13H19NO2S/c1-2-11-6-8-12(9-7-11)17(15,16)13-5-3-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyXPEMFUOBEOBZFR-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
2-(3,4-dimethylphenyl)sulfonylpiperidine
CID 117036510
2-thiophen-2-ylsulfonylpiperidine
CID 117036522
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
1-ethyl-4-methylsulfonylbenzene
CID 143759723
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
2-(4-ethylphenyl)sulfonyl-1-methylpiperazine
CID 117037170
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfonylpiperidine?
The IUPAC name of 2-(4-ethylphenyl)sulfonylpiperidine (CID 117036513) is 2-(4-ethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(4-ethylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-(4-ethylphenyl)sulfonylpiperidine is CCc1ccc(S(=O)(=O)C2CCCCN2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfonylpiperidine?
The InChIKey is XPEMFUOBEOBZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-11-6-8-12(9-7-11)17(15,16)13-5-3-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of 2-(4-ethylphenyl)sulfonylpiperidine?
2-(4-ethylphenyl)sulfonylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 117036513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).