(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone

C10H12N2O2S — CID 60923480

IUPAC(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ncccc1O)N1CCSCC1
InChIInChI=1S/C10H12N2O2S/c13-8-2-1-3-11-9(8)10(14)12-4-6-15-7-5-12/h1-3,13H,4-7H2
InChIKeyONBMIBHMLZUGLY-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.98
Rot. Bonds1

About (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone

(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone (PubChem CID 60923480) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
PubChem CID60923480
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ncccc1O)N1CCSCC1
InChIInChI=1S/C10H12N2O2S/c13-8-2-1-3-11-9(8)10(14)12-4-6-15-7-5-12/h1-3,13H,4-7H2
InChIKeyONBMIBHMLZUGLY-UHFFFAOYSA-N
XLogP0.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 107300789
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 115665116
(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372247
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone
CID 51105832
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone (CID 60923480) is (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone is O=C(c1ncccc1O)N1CCSCC1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone?
The InChIKey is ONBMIBHMLZUGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-8-2-1-3-11-9(8)10(14)12-4-6-15-7-5-12/h1-3,13H,4-7H2.
What are the key properties of (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone?
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone has a molecular weight of 224.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 60923480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).