2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one

C15H24N2O2S — CID 75428589

IUPAC2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one
SMILESCCC(NC(C)c1ccc(C)s1)C(=O)N1CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-4-13(15(18)17-7-9-19-10-8-17)16-12(3)14-6-5-11(2)20-14/h5-6,12-13,16H,4,7-10H2,1-3H3
InChIKeyCWQWPOYIYFDYCZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds5

About 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one

2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one (PubChem CID 75428589) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one
PubChem CID75428589
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one
SMILESCCC(NC(C)c1ccc(C)s1)C(=O)N1CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-4-13(15(18)17-7-9-19-10-8-17)16-12(3)14-6-5-11(2)20-14/h5-6,12-13,16H,4,7-10H2,1-3H3
InChIKeyCWQWPOYIYFDYCZ-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tenilsetam
CID 65649
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
5-(Morpholinocarbonyl)-1-(2-thienylmethyl)-2-pyrrolidinone
CID 4639573
3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2477180
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]thiophene-2-carboxamide
CID 3237806
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310438
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one (CID 75428589) is 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one is CCC(NC(C)c1ccc(C)s1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is CWQWPOYIYFDYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-13(15(18)17-7-9-19-10-8-17)16-12(3)14-6-5-11(2)20-14/h5-6,12-13,16H,4,7-10H2,1-3H3.
What are the key properties of 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one?
2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophen-2-yl)ethylamino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 75428589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).