1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine

C13H19NO3S — CID 6457843

IUPAC1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H19NO3S/c1-3-11-6-7-12(17-2)13(10-11)18(15,16)14-8-4-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyJLDOIEOMLJXYAB-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.04
Rot. Bonds4

About 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine

1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine (PubChem CID 6457843) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
PubChem CID6457843
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H19NO3S/c1-3-11-6-7-12(17-2)13(10-11)18(15,16)14-8-4-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyJLDOIEOMLJXYAB-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110818000
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6460333
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
CID 71106524
(3aS,7aS)-2-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98226607
(3aR,7aS)-2-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98226606
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104720
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine (CID 6457843) is 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine is CCc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine?
The InChIKey is JLDOIEOMLJXYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-11-6-7-12(17-2)13(10-11)18(15,16)14-8-4-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine?
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine has a molecular weight of 269.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 6457843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).