(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone

C12H16N2O2S — CID 115665116

IUPAC(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ncccc2O)CCS1
InChIInChI=1S/C12H16N2O2S/c1-2-9-8-14(6-7-17-9)12(16)11-10(15)4-3-5-13-11/h3-5,9,15H,2,6-8H2,1H3
InChIKeyRTKSFZJKAPQUDU-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.75
Rot. Bonds2

About (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone

(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 115665116) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
PubChem CID115665116
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ncccc2O)CCS1
InChIInChI=1S/C12H16N2O2S/c1-2-9-8-14(6-7-17-9)12(16)11-10(15)4-3-5-13-11/h3-5,9,15H,2,6-8H2,1H3
InChIKeyRTKSFZJKAPQUDU-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone
CID 86792334
(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 115661612
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 106687317
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone
CID 115665119
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 107300789
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777

Frequently Asked Questions

What is the IUPAC name of (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone (CID 115665116) is (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone is CCC1CN(C(=O)c2ncccc2O)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is RTKSFZJKAPQUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-9-8-14(6-7-17-9)12(16)11-10(15)4-3-5-13-11/h3-5,9,15H,2,6-8H2,1H3.
What are the key properties of (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone?
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 252.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 115665116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).