2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one

C12H17NO2S — CID 86244863

IUPAC2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOCC1)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-12(2,10-3-8-16-9-10)11(14)13-4-6-15-7-5-13/h3,8-9H,4-7H2,1-2H3
InChIKeyJNSZPJAOFRFUPJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one

2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one (PubChem CID 86244863) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one
PubChem CID86244863
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOCC1)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-12(2,10-3-8-16-9-10)11(14)13-4-6-15-7-5-13/h3,8-9H,4-7H2,1-2H3
InChIKeyJNSZPJAOFRFUPJ-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one (CID 86244863) is 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one is CC(C)(C(=O)N1CCOCC1)c1ccsc1.
What is the InChIKey of 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one?
The InChIKey is JNSZPJAOFRFUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,10-3-8-16-9-10)11(14)13-4-6-15-7-5-13/h3,8-9H,4-7H2,1-2H3.
What are the key properties of 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one?
2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-yl-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 86244863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).