(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol

C13H20N2OS — CID 104874708

IUPAC(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
SMILESCCC1CN(c2ccc([C@@H](C)O)cn2)CCS1
InChIInChI=1S/C13H20N2OS/c1-3-12-9-15(6-7-17-12)13-5-4-11(8-14-13)10(2)16/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyGAMMIEROIPKKRE-RWANSRKNSA-N
MW252.38 g/mol
LogP2.47
Rot. Bonds3

About (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol

(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol (PubChem CID 104874708) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
PubChem CID104874708
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
SMILESCCC1CN(c2ccc([C@@H](C)O)cn2)CCS1
InChIInChI=1S/C13H20N2OS/c1-3-12-9-15(6-7-17-12)13-5-4-11(8-14-13)10(2)16/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyGAMMIEROIPKKRE-RWANSRKNSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
CID 104874690
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 103942856
(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 114271915
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol
CID 83220027
1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626053
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 102782297
(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol
CID 104929024
N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105390466

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol (CID 104874708) is (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol is CCC1CN(c2ccc([C@@H](C)O)cn2)CCS1.
What is the InChIKey of (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol?
The InChIKey is GAMMIEROIPKKRE-RWANSRKNSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-12-9-15(6-7-17-12)13-5-4-11(8-14-13)10(2)16/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol?
(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol has a molecular weight of 252.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 104874708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).