2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol

C12H19N3O3S — CID 106594989

IUPAC2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
SMILESNCc1ncccc1S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H19N3O3S/c13-8-11-12(2-1-5-14-11)19(17,18)15-6-3-10(9-15)4-7-16/h1-2,5,10,16H,3-4,6-9,13H2
InChIKeyHFIZKRGDUPUYFV-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.07
Rot. Bonds5

About 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol

2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol (PubChem CID 106594989) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
PubChem CID106594989
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
SMILESNCc1ncccc1S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H19N3O3S/c13-8-11-12(2-1-5-14-11)19(17,18)15-6-3-10(9-15)4-7-16/h1-2,5,10,16H,3-4,6-9,13H2
InChIKeyHFIZKRGDUPUYFV-UHFFFAOYSA-N
XLogP-0.07
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 106594973
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
CID 115745017
(3-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 106593652
2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113246633
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
CID 114802283
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 106593628
2-[1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796802
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-5-one
CID 106594478
1-[4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 106594245
2-[1-[[4-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114797376

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol (CID 106594989) is 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol is NCc1ncccc1S(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
The InChIKey is HFIZKRGDUPUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-8-11-12(2-1-5-14-11)19(17,18)15-6-3-10(9-15)4-7-16/h1-2,5,10,16H,3-4,6-9,13H2.
What are the key properties of 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol has a molecular weight of 285.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 106594989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).