5-(4-methoxyphenyl)thiomorpholin-3-one

C11H13NO2S — CID 105480891

IUPAC5-(4-methoxyphenyl)thiomorpholin-3-one
SMILESCOc1ccc(C2CSCC(=O)N2)cc1
InChIInChI=1S/C11H13NO2S/c1-14-9-4-2-8(3-5-9)10-6-15-7-11(13)12-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyFEDJCBVRRFZMMK-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.60
Rot. Bonds2

About 5-(4-methoxyphenyl)thiomorpholin-3-one

5-(4-methoxyphenyl)thiomorpholin-3-one (PubChem CID 105480891) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)thiomorpholin-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)thiomorpholin-3-one
PubChem CID105480891
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-(4-methoxyphenyl)thiomorpholin-3-one
SMILESCOc1ccc(C2CSCC(=O)N2)cc1
InChIInChI=1S/C11H13NO2S/c1-14-9-4-2-8(3-5-9)10-6-15-7-11(13)12-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyFEDJCBVRRFZMMK-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methoxyphenyl)thiomorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-5-methylthiomorpholine
CID 66217923
(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 132552157
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
5-(4-methoxyphenyl)piperidine-2,4-dione
CID 139466443
5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 15817594
4-(4-methoxyphenyl)-1,3-oxazolidine
CID 86040633
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxothiomorpholine-3-carboxamide
CID 110695611
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510
4-(4-methoxyphenyl)-1,3-diazinane
CID 123665094

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)thiomorpholin-3-one?
The IUPAC name of 5-(4-methoxyphenyl)thiomorpholin-3-one (CID 105480891) is 5-(4-methoxyphenyl)thiomorpholin-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)thiomorpholin-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)thiomorpholin-3-one is COc1ccc(C2CSCC(=O)N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)thiomorpholin-3-one?
The InChIKey is FEDJCBVRRFZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-14-9-4-2-8(3-5-9)10-6-15-7-11(13)12-10/h2-5,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 5-(4-methoxyphenyl)thiomorpholin-3-one?
5-(4-methoxyphenyl)thiomorpholin-3-one has a molecular weight of 223.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)thiomorpholin-3-one is sourced from PubChem (CID 105480891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).