4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine

C16H25NO2S — CID 18342648

IUPAC4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H25NO2S/c1-14(2)17-11-8-15(9-12-17)10-13-20(18,19)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyORTBCUPWAMAQKW-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.97
Rot. Bonds5

About 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine

4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine (PubChem CID 18342648) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine
PubChem CID18342648
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H25NO2S/c1-14(2)17-11-8-15(9-12-17)10-13-20(18,19)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyORTBCUPWAMAQKW-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-propan-2-ylpiperidine
CID 22959492
1-[3-(benzenesulfonyl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318790
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
1-(3-chloro-3-phenylpropyl)-4-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 58694767
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
CID 18713539
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
trans-(2R,5S)-5-(benzenesulfonylmethyl)-2-propan-2-ylcyclohexan-1-one
CID 101223013
N-[2-(benzenesulfonyl)ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733964
1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propyl]-4-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 10054900
3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 91913389

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine (CID 18342648) is 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine is CC(C)N1CCC(CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine?
The InChIKey is ORTBCUPWAMAQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-14(2)17-11-8-15(9-12-17)10-13-20(18,19)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine?
4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine has a molecular weight of 295.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 18342648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).