(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone

C13H17NO2S — CID 115634458

IUPAC(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
SMILESCC1SCCN(C(=O)c2ccccc2O)C1C
InChIInChI=1S/C13H17NO2S/c1-9-10(2)17-8-7-14(9)13(16)11-5-3-4-6-12(11)15/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyITMHKWMWTYWJKU-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.36
Rot. Bonds1

About (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone

(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone (PubChem CID 115634458) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
PubChem CID115634458
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
SMILESCC1SCCN(C(=O)c2ccccc2O)C1C
InChIInChI=1S/C13H17NO2S/c1-9-10(2)17-8-7-14(9)13(16)11-5-3-4-6-12(11)15/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyITMHKWMWTYWJKU-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone
CID 115634509
(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 106854402
2-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923806
(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 113238099
(2,3-dimethylthiomorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107035978
(4-bromo-2-fluorophenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 113238113
[(2S,3R)-2,3-dimethylthiomorpholin-4-yl]-quinolin-2-ylmethanone
CID 95630049
(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 120634085
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(2,3-dimethylthiomorpholin-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 115675000
(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 105072517
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone (CID 115634458) is (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone is CC1SCCN(C(=O)c2ccccc2O)C1C.
What is the InChIKey of (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is ITMHKWMWTYWJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9-10(2)17-8-7-14(9)13(16)11-5-3-4-6-12(11)15/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone?
(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 251.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 115634458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).