2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine

C12H19NO2S2 — CID 110429024

IUPAC2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC2CC)s1
InChIInChI=1S/C12H19NO2S2/c1-3-10-6-5-9-13(10)17(14,15)12-8-7-11(4-2)16-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMOAKSBVQZASZSO-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.87
Rot. Bonds4

About 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine

2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine (PubChem CID 110429024) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
PubChem CID110429024
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC2CC)s1
InChIInChI=1S/C12H19NO2S2/c1-3-10-6-5-9-13(10)17(14,15)12-8-7-11(4-2)16-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMOAKSBVQZASZSO-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
1-[1-(5-ethylthiophen-2-yl)sulfonylazepan-2-yl]propan-2-one
CID 79541588
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
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CID 19682804
5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
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1-[(3S)-4-(5-ethylthiophen-2-yl)sulfonyl-1,4-thiazepan-3-yl]-N,N-dimethylmethanamine
CID 97105245
5-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270307
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
ethyl 1-(5-ethylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 115282486
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine
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1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine (CID 110429024) is 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine is CCc1ccc(S(=O)(=O)N2CCCC2CC)s1.
What is the InChIKey of 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is MOAKSBVQZASZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-3-10-6-5-9-13(10)17(14,15)12-8-7-11(4-2)16-12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine?
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 273.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 110429024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).