(4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone

C15H21NO2S — CID 103595424

IUPAC(4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CSCCN2C)cc1
InChIInChI=1S/C15H21NO2S/c1-3-9-18-13-6-4-12(5-7-13)15(17)14-11-19-10-8-16(14)2/h4-7,14H,3,8-11H2,1-2H3
InChIKeyGKJLQKFYNKZZIX-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.71
Rot. Bonds5

About (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone

(4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone (PubChem CID 103595424) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone
PubChem CID103595424
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name(4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CSCCN2C)cc1
InChIInChI=1S/C15H21NO2S/c1-3-9-18-13-6-4-12(5-7-13)15(17)14-11-19-10-8-16(14)2/h4-7,14H,3,8-11H2,1-2H3
InChIKeyGKJLQKFYNKZZIX-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone 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

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
CID 5136899
(1,1-dioxothian-2-yl)-(4-propoxyphenyl)methanone
CID 114971121
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552317
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
N-cyclohexyl-4-propoxybenzamide
CID 4938429
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025
(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
CID 116592105
[(Z)-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] 4-propoxybenzoate
CID 11889965
2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595353
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 79053644
(4-butoxyphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331547

Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone (CID 103595424) is (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CSCCN2C)cc1.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone?
The InChIKey is GKJLQKFYNKZZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-3-9-18-13-6-4-12(5-7-13)15(17)14-11-19-10-8-16(14)2/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone?
(4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone has a molecular weight of 279.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 103595424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).