2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one

C13H19NO2S — CID 11969500

IUPAC2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCc1csc(C(=O)C(C)(C)N2CCOCC2)c1
InChIInChI=1S/C13H19NO2S/c1-10-8-11(17-9-10)12(15)13(2,3)14-4-6-16-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyNNAHKQUHXJHBIV-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.35
Rot. Bonds3

About 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one

2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 11969500) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID11969500
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCc1csc(C(=O)C(C)(C)N2CCOCC2)c1
InChIInChI=1S/C13H19NO2S/c1-10-8-11(17-9-10)12(15)13(2,3)14-4-6-16-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyNNAHKQUHXJHBIV-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one (CID 11969500) is 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one is Cc1csc(C(=O)C(C)(C)N2CCOCC2)c1.
What is the InChIKey of 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is NNAHKQUHXJHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-8-11(17-9-10)12(15)13(2,3)14-4-6-16-7-5-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one?
2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 253.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 11969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).