2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine

C11H20N4O2S — CID 114802284

IUPAC2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
SMILESCCn1cnc(S(=O)(=O)N2CCC(CCN)C2)c1
InChIInChI=1S/C11H20N4O2S/c1-2-14-8-11(13-9-14)18(16,17)15-6-4-10(7-15)3-5-12/h8-10H,2-7,12H2,1H3
InChIKeyYXYNUUFGHKKABB-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.26
Rot. Bonds5

About 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine

2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine (PubChem CID 114802284) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
PubChem CID114802284
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
SMILESCCn1cnc(S(=O)(=O)N2CCC(CCN)C2)c1
InChIInChI=1S/C11H20N4O2S/c1-2-14-8-11(13-9-14)18(16,17)15-6-4-10(7-15)3-5-12/h8-10H,2-7,12H2,1H3
InChIKeyYXYNUUFGHKKABB-UHFFFAOYSA-N
XLogP0.26
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine (CID 114802284) is 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine is CCn1cnc(S(=O)(=O)N2CCC(CCN)C2)c1.
What is the InChIKey of 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine?
The InChIKey is YXYNUUFGHKKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-14-8-11(13-9-14)18(16,17)15-6-4-10(7-15)3-5-12/h8-10H,2-7,12H2,1H3.
What are the key properties of 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine?
2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).