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

C15H23NO2S — CID 79065617

IUPAC4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
SMILESCCC(C)(C(=O)CCc1cccs1)N1CCOCC1
InChIInChI=1S/C15H23NO2S/c1-3-15(2,16-8-10-18-11-9-16)14(17)7-6-13-5-4-12-19-13/h4-5,12H,3,6-11H2,1-2H3
InChIKeyUGIPKPCUXOQHLV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.75
Rot. Bonds6

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

4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one (PubChem CID 79065617) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one.

Molecular Properties

Compound Name4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
PubChem CID79065617
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
SMILESCCC(C)(C(=O)CCc1cccs1)N1CCOCC1
InChIInChI=1S/C15H23NO2S/c1-3-15(2,16-8-10-18-11-9-16)14(17)7-6-13-5-4-12-19-13/h4-5,12H,3,6-11H2,1-2H3
InChIKeyUGIPKPCUXOQHLV-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-4-hydroxy-1-thiophen-2-ylhexan-3-one
CID 103447105
3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
4-methoxy-4-methyl-1-thiophen-2-ylhexan-3-one
CID 116746515
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
CID 79065692
3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
CID 131720366
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
CID 94249164
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110128109

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one?
The IUPAC name of 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one (CID 79065617) is 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one.
What is the SMILES notation for 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one?
The canonical SMILES for 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one is CCC(C)(C(=O)CCc1cccs1)N1CCOCC1.
What is the InChIKey of 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one?
The InChIKey is UGIPKPCUXOQHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-15(2,16-8-10-18-11-9-16)14(17)7-6-13-5-4-12-19-13/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one?
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one has a molecular weight of 281.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one is sourced from PubChem (CID 79065617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).