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

C11H14N2O2S — CID 115696759

IUPAC(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccncc2O)CCS1
InChIInChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-2-3-12-6-10(9)14/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyNQKXLKVMDZHOSN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.36
Rot. Bonds1

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

(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 115696759) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
PubChem CID115696759
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccncc2O)CCS1
InChIInChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-2-3-12-6-10(9)14/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyNQKXLKVMDZHOSN-UHFFFAOYSA-N
XLogP1.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 105387522
(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 103576007
(2-fluoro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 107363058
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103337464
[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (CID 115696759) is (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2ccncc2O)CCS1.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is NQKXLKVMDZHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-7-13(4-5-16-8)11(15)9-2-3-12-6-10(9)14/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 238.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 115696759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).