2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol

C13H21N3O3S — CID 124973957

IUPAC2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol
SMILESCS(=O)(=O)N1CC[C@@H](Cc2cccc(NCCO)n2)C1
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-7-5-11(10-16)9-12-3-2-4-13(15-12)14-6-8-17/h2-4,11,17H,5-10H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyKNLZEIAYYNFJCT-NSHDSACASA-N
MW299.40 g/mol
LogP0.31
Rot. Bonds6

About 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol

2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol (PubChem CID 124973957) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol
PubChem CID124973957
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol
SMILESCS(=O)(=O)N1CC[C@@H](Cc2cccc(NCCO)n2)C1
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-7-5-11(10-16)9-12-3-2-4-13(15-12)14-6-8-17/h2-4,11,17H,5-10H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyKNLZEIAYYNFJCT-NSHDSACASA-N
XLogP0.31
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
1-[(4S)-4-[[6-(2-methoxyethylamino)-2-pyridinyl]methyl]azepan-1-yl]ethanone
CID 95825077
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
2-[[5-[(1-methylsulfonylazepan-4-yl)methyl]-3-pyridinyl]amino]ethanol
CID 110257878
1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110090129
2-[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 125014808
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
4-[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 124972485
2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 125004087
N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide
CID 95825750

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol (CID 124973957) is 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol is CS(=O)(=O)N1CC[C@@H](Cc2cccc(NCCO)n2)C1.
What is the InChIKey of 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol?
The InChIKey is KNLZEIAYYNFJCT-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-20(18,19)16-7-5-11(10-16)9-12-3-2-4-13(15-12)14-6-8-17/h2-4,11,17H,5-10H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol?
2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol has a molecular weight of 299.40 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 124973957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).