3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine

C18H22N2O3S — CID 171910335

IUPAC3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine
SMILESCCOCC1CCCN1S(=O)(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H22N2O3S/c1-2-23-14-17-8-5-11-20(17)24(21,22)18-9-3-6-15(12-18)16-7-4-10-19-13-16/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3
InChIKeyVIWRRFOLHPOOAT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.94
Rot. Bonds6

About 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine

3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine (PubChem CID 171910335) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine.

Molecular Properties

Compound Name3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine
PubChem CID171910335
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine
SMILESCCOCC1CCCN1S(=O)(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H22N2O3S/c1-2-23-14-17-8-5-11-20(17)24(21,22)18-9-3-6-15(12-18)16-7-4-10-19-13-16/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3
InChIKeyVIWRRFOLHPOOAT-UHFFFAOYSA-N
XLogP2.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonylmethyl)-1-(3-phenylphenyl)sulfonylpyrrolidine
CID 90587549
N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25212282
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
1-methyl-5-[(2S)-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 11647018
(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
CID 141047061
1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 71583080
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 119988615
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine?
The IUPAC name of 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine (CID 171910335) is 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine.
What is the SMILES notation for 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine?
The canonical SMILES for 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine is CCOCC1CCCN1S(=O)(=O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine?
The InChIKey is VIWRRFOLHPOOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-23-14-17-8-5-11-20(17)24(21,22)18-9-3-6-15(12-18)16-7-4-10-19-13-16/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3.
What are the key properties of 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine?
3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine has a molecular weight of 346.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine is sourced from PubChem (CID 171910335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).