2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine

C13H19NO2S — CID 110604689

IUPAC2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C13H19NO2S/c1-3-12-7-5-9-14(12)17(15,16)13-8-4-6-11(2)10-13/h4,6,8,10,12H,3,5,7,9H2,1-2H3
InChIKeyJRIWIRWKWRIDQE-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.56
Rot. Bonds3

About 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine

2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine (PubChem CID 110604689) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
PubChem CID110604689
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C13H19NO2S/c1-3-12-7-5-9-14(12)17(15,16)13-8-4-6-11(2)10-13/h4,6,8,10,12H,3,5,7,9H2,1-2H3
InChIKeyJRIWIRWKWRIDQE-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
CID 130288052

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine (CID 110604689) is 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine is CCC1CCCN1S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine?
The InChIKey is JRIWIRWKWRIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-12-7-5-9-14(12)17(15,16)13-8-4-6-11(2)10-13/h4,6,8,10,12H,3,5,7,9H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine?
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine has a molecular weight of 253.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 110604689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).