2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one

C14H21NO2S — CID 79065462

IUPAC2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1csc(C)c1)N1CCOCC1
InChIInChI=1S/C14H21NO2S/c1-4-14(3,15-5-7-17-8-6-15)13(16)12-9-11(2)18-10-12/h9-10H,4-8H2,1-3H3
InChIKeyFWONJJUJYVCJOS-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one

2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one (PubChem CID 79065462) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
PubChem CID79065462
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1csc(C)c1)N1CCOCC1
InChIInChI=1S/C14H21NO2S/c1-4-14(3,15-5-7-17-8-6-15)13(16)12-9-11(2)18-10-12/h9-10H,4-8H2,1-3H3
InChIKeyFWONJJUJYVCJOS-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one (CID 79065462) is 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)c1csc(C)c1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one?
The InChIKey is FWONJJUJYVCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-14(3,15-5-7-17-8-6-15)13(16)12-9-11(2)18-10-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one?
2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one has a molecular weight of 267.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 79065462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).