(2-propoxyphenyl)-thiomorpholin-3-ylmethanone

C14H19NO2S — CID 116609477

IUPAC(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
SMILESCCCOc1ccccc1C(=O)C1CSCCN1
InChIInChI=1S/C14H19NO2S/c1-2-8-17-13-6-4-3-5-11(13)14(16)12-10-18-9-7-15-12/h3-6,12,15H,2,7-10H2,1H3
InChIKeyCTIMYMULKBICQF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.36
Rot. Bonds5

About (2-propoxyphenyl)-thiomorpholin-3-ylmethanone

(2-propoxyphenyl)-thiomorpholin-3-ylmethanone (PubChem CID 116609477) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2-propoxyphenyl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
PubChem CID116609477
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
SMILESCCCOc1ccccc1C(=O)C1CSCCN1
InChIInChI=1S/C14H19NO2S/c1-2-8-17-13-6-4-3-5-11(13)14(16)12-10-18-9-7-15-12/h3-6,12,15H,2,7-10H2,1H3
InChIKeyCTIMYMULKBICQF-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-propoxyphenyl)-thiomorpholin-3-ylmethanone 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

1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586475
6-(2-propoxybenzoyl)piperidin-2-one
CID 54196538
(2-propoxyphenyl)-(thiolan-2-yl)methanone
CID 104659403
[2-(2-methoxyethoxy)phenyl]-morpholin-3-ylmethanone
CID 116576351
azepan-2-yl-[2-(2-methoxyethoxy)phenyl]methanone
CID 116582652
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 102839670
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
(3-bromo-2,4-dimethoxyphenyl)-thiomorpholin-3-ylmethanone
CID 103524357
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
CID 104659366

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (2-propoxyphenyl)-thiomorpholin-3-ylmethanone (CID 116609477) is (2-propoxyphenyl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (2-propoxyphenyl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (2-propoxyphenyl)-thiomorpholin-3-ylmethanone is CCCOc1ccccc1C(=O)C1CSCCN1.
What is the InChIKey of (2-propoxyphenyl)-thiomorpholin-3-ylmethanone?
The InChIKey is CTIMYMULKBICQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-8-17-13-6-4-3-5-11(13)14(16)12-10-18-9-7-15-12/h3-6,12,15H,2,7-10H2,1H3.
What are the key properties of (2-propoxyphenyl)-thiomorpholin-3-ylmethanone?
(2-propoxyphenyl)-thiomorpholin-3-ylmethanone has a molecular weight of 265.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 116609477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).