(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone

C14H19NO3S — CID 115675000

IUPAC(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCSC(C)C2C)cc1O
InChIInChI=1S/C14H19NO3S/c1-9-10(2)19-7-6-15(9)14(17)11-4-5-13(18-3)12(16)8-11/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeySYKKXOBJSGJMGU-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.37
Rot. Bonds2

About (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone

(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone (PubChem CID 115675000) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
PubChem CID115675000
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCSC(C)C2C)cc1O
InChIInChI=1S/C14H19NO3S/c1-9-10(2)19-7-6-15(9)14(17)11-4-5-13(18-3)12(16)8-11/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeySYKKXOBJSGJMGU-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone
CID 129480648
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
(2,3-dimethylthiomorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107035978
(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
CID 115634458
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
1-[6-[(2S,3S)-2,3-dimethylthiomorpholine-4-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 97224831
1-[6-[(2R,3S)-2,3-dimethylthiomorpholine-4-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 97224833
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
CID 79673840
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
2-azabicyclo[2.2.1]heptan-2-yl-(3-hydroxy-4-methoxyphenyl)methanone
CID 79601259

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone (CID 115675000) is (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCSC(C)C2C)cc1O.
What is the InChIKey of (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is SYKKXOBJSGJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-10(2)19-7-6-15(9)14(17)11-4-5-13(18-3)12(16)8-11/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 281.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 115675000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).