4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine

C14H28N2O2S — CID 61421410

IUPAC4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
SMILESCCC1CCN(S(=O)(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-13-6-10-16(11-7-13)19(17,18)12-8-14-5-3-4-9-15-14/h13-15H,2-12H2,1H3
InChIKeyVDBMMKPLKUUJNV-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.97
Rot. Bonds5

About 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine

4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine (PubChem CID 61421410) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
PubChem CID61421410
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
SMILESCCC1CCN(S(=O)(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-13-6-10-16(11-7-13)19(17,18)12-8-14-5-3-4-9-15-14/h13-15H,2-12H2,1H3
InChIKeyVDBMMKPLKUUJNV-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-4-(2-piperidin-2-ylethylsulfonyl)-1,4-thiazepane
CID 107456569
1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
4-(2-piperidin-2-ylethylsulfonyl)-1,4-diazepan-2-one
CID 65364180
4-ethyl-1-(3-piperidin-2-ylpropyl)piperidine
CID 62212363
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726522
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
CID 62992754
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
7-(2-piperidin-2-ylethylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63026988

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine?
The IUPAC name of 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine (CID 61421410) is 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine.
What is the SMILES notation for 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine?
The canonical SMILES for 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine is CCC1CCN(S(=O)(=O)CCC2CCCCN2)CC1.
What is the InChIKey of 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine?
The InChIKey is VDBMMKPLKUUJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-13-6-10-16(11-7-13)19(17,18)12-8-14-5-3-4-9-15-14/h13-15H,2-12H2,1H3.
What are the key properties of 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine?
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine has a molecular weight of 288.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine is sourced from PubChem (CID 61421410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).