2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine

C15H19N3O2S — CID 114802283

IUPAC2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
SMILESNCCC1CCN(S(=O)(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C15H19N3O2S/c16-8-6-12-7-10-18(11-12)21(19,20)15-5-1-4-14-13(15)3-2-9-17-14/h1-5,9,12H,6-8,10-11,16H2
InChIKeyHTDRFLIYRDLBOM-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.59
Rot. Bonds4

About 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine

2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine (PubChem CID 114802283) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
PubChem CID114802283
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
SMILESNCCC1CCN(S(=O)(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C15H19N3O2S/c16-8-6-12-7-10-18(11-12)21(19,20)15-5-1-4-14-13(15)3-2-9-17-14/h1-5,9,12H,6-8,10-11,16H2
InChIKeyHTDRFLIYRDLBOM-UHFFFAOYSA-N
XLogP1.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
CID 115745017
1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090
5-(4-bromopiperidin-1-yl)sulfonylquinoline
CID 104774213
5-methyl-1-quinolin-5-ylsulfonylpiperidin-3-amine
CID 104774086
3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
CID 114500121
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
CID 106594989
5-(4-methylpiperazin-1-yl)sulfonylquinoline
CID 115599575
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113246633
3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
CID 104773999
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237

Frequently Asked Questions

What is the IUPAC name of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine (CID 114802283) is 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine is NCCC1CCN(S(=O)(=O)c2cccc3ncccc23)C1.
What is the InChIKey of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine?
The InChIKey is HTDRFLIYRDLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-8-6-12-7-10-18(11-12)21(19,20)15-5-1-4-14-13(15)3-2-9-17-14/h1-5,9,12H,6-8,10-11,16H2.
What are the key properties of 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine?
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine has a molecular weight of 305.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 114802283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).