2-ethyl-4-methyl-1-methylsulfonylpyrrolidine

C8H17NO2S — CID 131176178

IUPAC2-ethyl-4-methyl-1-methylsulfonylpyrrolidine
SMILESCCC1CC(C)CN1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8-5-7(2)6-9(8)12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyJNCGQKSGSZTKPW-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds2

About 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine

2-ethyl-4-methyl-1-methylsulfonylpyrrolidine (PubChem CID 131176178) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-methylsulfonylpyrrolidine
PubChem CID131176178
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-ethyl-4-methyl-1-methylsulfonylpyrrolidine
SMILESCCC1CC(C)CN1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8-5-7(2)6-9(8)12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyJNCGQKSGSZTKPW-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylsulfonyl-2-propylpyrrolidine
CID 59852648
(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
CID 140533240
(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
CID 95358786
(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine
CID 96602898
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
(3S)-3-ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 144443407
(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
CID 176666115
1-(Difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
CID 176666200
(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine
CID 176666250
2-Ethyl-1-(methylsulfonyl)pyrrolidine
CID 13430732
1-Butylsulfonyl-2-propan-2-ylpyrrolidine
CID 110728284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine (CID 131176178) is 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine is CCC1CC(C)CN1S(C)(=O)=O.
What is the InChIKey of 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is JNCGQKSGSZTKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-8-5-7(2)6-9(8)12(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine?
2-ethyl-4-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 131176178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).