3-(4-methoxyphenyl)-5-methylthiomorpholine

C12H17NOS — CID 66217923

IUPAC3-(4-methoxyphenyl)-5-methylthiomorpholine
SMILESCOc1ccc(C2CSCC(C)N2)cc1
InChIInChI=1S/C12H17NOS/c1-9-7-15-8-12(13-9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyXIRSHZFQFXUKJB-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.46
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-methylthiomorpholine

3-(4-methoxyphenyl)-5-methylthiomorpholine (PubChem CID 66217923) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methylthiomorpholine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methylthiomorpholine
PubChem CID66217923
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-(4-methoxyphenyl)-5-methylthiomorpholine
SMILESCOc1ccc(C2CSCC(C)N2)cc1
InChIInChI=1S/C12H17NOS/c1-9-7-15-8-12(13-9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyXIRSHZFQFXUKJB-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-5-methylthiomorpholine 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-(3,4-dichlorophenyl)-5-methylthiomorpholine
CID 66219407
5-(4-methoxyphenyl)thiomorpholin-3-one
CID 105480891
5-methyl-3-(4-propan-2-yloxyphenyl)-1,4-thiazepane
CID 66231945
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
4-(4-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 577333
3-(4-bromophenyl)-5-methyl-1,4-thiazepane
CID 66234655
4-(4-methoxyphenyl)-1,3-oxazolidine
CID 86040633
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate
CID 65171527
methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate
CID 65171376
(3R,5R)-3,5-dimethylthiomorpholine
CID 13077511
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methylthiomorpholine?
The IUPAC name of 3-(4-methoxyphenyl)-5-methylthiomorpholine (CID 66217923) is 3-(4-methoxyphenyl)-5-methylthiomorpholine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methylthiomorpholine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methylthiomorpholine is COc1ccc(C2CSCC(C)N2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methylthiomorpholine?
The InChIKey is XIRSHZFQFXUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-7-15-8-12(13-9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methylthiomorpholine?
3-(4-methoxyphenyl)-5-methylthiomorpholine has a molecular weight of 223.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methylthiomorpholine is sourced from PubChem (CID 66217923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).