2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one

C11H17NO3S — CID 68627444

IUPAC2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
SMILESCC1SC=C(OCCN2CCOCC2)C1=O
InChIInChI=1S/C11H17NO3S/c1-9-11(13)10(8-16-9)15-7-4-12-2-5-14-6-3-12/h8-9H,2-7H2,1H3
InChIKeyQQVSWECTCPAANI-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.88
Rot. Bonds4

About 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one

2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one (PubChem CID 68627444) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one.

Molecular Properties

Compound Name2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
PubChem CID68627444
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
SMILESCC1SC=C(OCCN2CCOCC2)C1=O
InChIInChI=1S/C11H17NO3S/c1-9-11(13)10(8-16-9)15-7-4-12-2-5-14-6-3-12/h8-9H,2-7H2,1H3
InChIKeyQQVSWECTCPAANI-UHFFFAOYSA-N
XLogP0.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The IUPAC name of 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one (CID 68627444) is 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one.
What is the SMILES notation for 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The canonical SMILES for 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one is CC1SC=C(OCCN2CCOCC2)C1=O.
What is the InChIKey of 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The InChIKey is QQVSWECTCPAANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-11(13)10(8-16-9)15-7-4-12-2-5-14-6-3-12/h8-9H,2-7H2,1H3.
What are the key properties of 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one has a molecular weight of 243.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one is sourced from PubChem (CID 68627444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).