2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine

C13H19NO3S — CID 110429014

IUPAC2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3S/c1-3-11-5-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeySWYHPJXVCPXXSW-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.26
Rot. Bonds4

About 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine

2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine (PubChem CID 110429014) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
PubChem CID110429014
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3S/c1-3-11-5-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeySWYHPJXVCPXXSW-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 80676501
S-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl] ethanethioate
CID 15895345
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
2-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 59746443
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286315
[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 7177581
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine (CID 110429014) is 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine is CCC1CCCN1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine?
The InChIKey is SWYHPJXVCPXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-11-5-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine?
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine has a molecular weight of 269.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 110429014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).