1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine

C12H25NO2S — CID 59761676

IUPAC1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine
SMILESCCS(=O)(=O)CCN1CCC(C(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)10-9-13-7-5-12(6-8-13)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyFLMQJCACIHYKEE-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.79
Rot. Bonds5

About 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine

1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine (PubChem CID 59761676) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine
PubChem CID59761676
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine
SMILESCCS(=O)(=O)CCN1CCC(C(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-4-16(14,15)10-9-13-7-5-12(6-8-13)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyFLMQJCACIHYKEE-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide
CID 3832716
4-(2-Methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane
CID 71976335
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
2-(4-Methylpiperidin-1-yl)ethanesulfonyl fluoride
CID 126755742
2-(4-Propylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138600562
2-(4-Propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125166
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125875
1-Ethylsulfonyl-3-methylpiperidine
CID 303056
1-Ethylsulfonyl-4-methylpiperidine
CID 303058
4-Methyl-1-propylsulfonylpiperidine
CID 303129

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine (CID 59761676) is 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine is CCS(=O)(=O)CCN1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine?
The InChIKey is FLMQJCACIHYKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-16(14,15)10-9-13-7-5-12(6-8-13)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine?
1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine has a molecular weight of 247.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 59761676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).