4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine

C13H26N2O2S — CID 54885840

IUPAC4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
SMILESCCC1CCCN1S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-2-13-4-3-10-15(13)18(16,17)11-7-12-5-8-14-9-6-12/h12-14H,2-11H2,1H3
InChIKeyKSRWMFPLOKBCLA-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds5

About 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine

4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine (PubChem CID 54885840) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
PubChem CID54885840
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
SMILESCCC1CCCN1S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-2-13-4-3-10-15(13)18(16,17)11-7-12-5-8-14-9-6-12/h12-14H,2-11H2,1H3
InChIKeyKSRWMFPLOKBCLA-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine-2,6-dione
CID 66067816
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
4-[2-(2-ethylpyrrolidin-1-yl)ethyl]piperidine;hydrochloride
CID 120663507
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
2-ethyl-1-pyrrolidin-3-ylsulfonylpiperidine
CID 65419409
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218
2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine
CID 114593427

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine?
The IUPAC name of 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine (CID 54885840) is 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine.
What is the SMILES notation for 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine?
The canonical SMILES for 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine is CCC1CCCN1S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine?
The InChIKey is KSRWMFPLOKBCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-13-4-3-10-15(13)18(16,17)11-7-12-5-8-14-9-6-12/h12-14H,2-11H2,1H3.
What are the key properties of 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine?
4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine is sourced from PubChem (CID 54885840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).