2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine

C13H20N2O4S — CID 103541412

IUPAC2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc(OCCN)cc2)C1
InChIInChI=1S/C13H20N2O4S/c1-18-12-6-8-15(10-12)20(16,17)13-4-2-11(3-5-13)19-9-7-14/h2-5,12H,6-10,14H2,1H3
InChIKeyBWSUOENEIYTGFW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.43
Rot. Bonds6

About 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine

2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine (PubChem CID 103541412) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
PubChem CID103541412
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc(OCCN)cc2)C1
InChIInChI=1S/C13H20N2O4S/c1-18-12-6-8-15(10-12)20(16,17)13-4-2-11(3-5-13)19-9-7-14/h2-5,12H,6-10,14H2,1H3
InChIKeyBWSUOENEIYTGFW-UHFFFAOYSA-N
XLogP0.43
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-chloropropoxy)phenyl]sulfonyl-3-methoxypyrrolidine
CID 103541193
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)phenoxy]ethanamine
CID 115562926
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992789
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenoxy]ethanamine
CID 106317319
[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 103535101

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine?
The IUPAC name of 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine (CID 103541412) is 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine?
The canonical SMILES for 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine is COC1CCN(S(=O)(=O)c2ccc(OCCN)cc2)C1.
What is the InChIKey of 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine?
The InChIKey is BWSUOENEIYTGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-18-12-6-8-15(10-12)20(16,17)13-4-2-11(3-5-13)19-9-7-14/h2-5,12H,6-10,14H2,1H3.
What are the key properties of 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine?
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine has a molecular weight of 300.38 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine is sourced from PubChem (CID 103541412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).