2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol

C12H19N3O3S — CID 95846391

IUPAC2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
SMILESCS(=O)(=O)N1CCC[C@H]1c1cccc(NCCO)n1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-8-3-5-11(15)10-4-2-6-12(14-10)13-7-9-16/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyWBYKYXCSROAGAX-NSHDSACASA-N
MW285.37 g/mol
LogP0.58
Rot. Bonds5

About 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol

2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol (PubChem CID 95846391) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
PubChem CID95846391
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
SMILESCS(=O)(=O)N1CCC[C@H]1c1cccc(NCCO)n1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-8-3-5-11(15)10-4-2-6-12(14-10)13-7-9-16/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyWBYKYXCSROAGAX-NSHDSACASA-N
XLogP0.58
TPSA82.53 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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
3-[6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124969408
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124993531
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110131868
2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol
CID 124973957
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 95817972
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
4,4-dimethyl-3-[6-(1-methylsulfonylpyrrolidin-2-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099097

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol (CID 95846391) is 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol is CS(=O)(=O)N1CCC[C@H]1c1cccc(NCCO)n1.
What is the InChIKey of 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is WBYKYXCSROAGAX-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-19(17,18)15-8-3-5-11(15)10-4-2-6-12(14-10)13-7-9-16/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol?
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 285.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 95846391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).