2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal

C13H19NO2S — CID 87305345

IUPAC2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal
SMILESCc1csc(CC(C)(C=O)N2CCOCC2)c1
InChIInChI=1S/C13H19NO2S/c1-11-7-12(17-9-11)8-13(2,10-15)14-3-5-16-6-4-14/h7,9-10H,3-6,8H2,1-2H3
InChIKeyOTSFSOCGXLHANA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal

2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal (PubChem CID 87305345) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal.

Molecular Properties

Compound Name2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal
PubChem CID87305345
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal
SMILESCc1csc(CC(C)(C=O)N2CCOCC2)c1
InChIInChI=1S/C13H19NO2S/c1-11-7-12(17-9-11)8-13(2,10-15)14-3-5-16-6-4-14/h7,9-10H,3-6,8H2,1-2H3
InChIKeyOTSFSOCGXLHANA-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal?
The IUPAC name of 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal (CID 87305345) is 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal.
What is the SMILES notation for 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal?
The canonical SMILES for 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal is Cc1csc(CC(C)(C=O)N2CCOCC2)c1.
What is the InChIKey of 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal?
The InChIKey is OTSFSOCGXLHANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-7-12(17-9-11)8-13(2,10-15)14-3-5-16-6-4-14/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal?
2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal has a molecular weight of 253.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal is sourced from PubChem (CID 87305345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).