3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one

C15H23NO2S — CID 131720366

IUPAC3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
SMILESCC(C)(CCc1cccs1)CC(=O)N1CCOCC1
InChIInChI=1S/C15H23NO2S/c1-15(2,6-5-13-4-3-11-19-13)12-14(17)16-7-9-18-10-8-16/h3-4,11H,5-10,12H2,1-2H3
InChIKeyFSLXXEIUVLEOMK-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.96
Rot. Bonds5

About 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one

3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one (PubChem CID 131720366) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
PubChem CID131720366
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
SMILESCC(C)(CCc1cccs1)CC(=O)N1CCOCC1
InChIInChI=1S/C15H23NO2S/c1-15(2,6-5-13-4-3-11-19-13)12-14(17)16-7-9-18-10-8-16/h3-4,11H,5-10,12H2,1-2H3
InChIKeyFSLXXEIUVLEOMK-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one
CID 11797070
methyl 3,3-dimethyl-5-thiophen-2-ylpentanoate
CID 14256071
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
CID 79065617
1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420641
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 75438432
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one
CID 10715845

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one?
The IUPAC name of 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one (CID 131720366) is 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one?
The canonical SMILES for 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one is CC(C)(CCc1cccs1)CC(=O)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one?
The InChIKey is FSLXXEIUVLEOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,6-5-13-4-3-11-19-13)12-14(17)16-7-9-18-10-8-16/h3-4,11H,5-10,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one?
3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one has a molecular weight of 281.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 131720366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).