2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one

C15H24N2O2S — CID 119810944

IUPAC2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC(C)OC(c2ccsc2)C1
InChIInChI=1S/C15H24N2O2S/c1-4-10(2)14(16)15(18)17-7-11(3)19-13(8-17)12-5-6-20-9-12/h5-6,9-11,13-14H,4,7-8,16H2,1-3H3
InChIKeyLNHPUKKGMFGHNS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one

2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one (PubChem CID 119810944) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
PubChem CID119810944
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC(C)OC(c2ccsc2)C1
InChIInChI=1S/C15H24N2O2S/c1-4-10(2)14(16)15(18)17-7-11(3)19-13(8-17)12-5-6-20-9-12/h5-6,9-11,13-14H,4,7-8,16H2,1-3H3
InChIKeyLNHPUKKGMFGHNS-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
(3-aminocyclopentyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 119810914
[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124694505
(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97060192
N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919520
(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093261
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120992573
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 100876796

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one (CID 119810944) is 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one is CCC(C)C(N)C(=O)N1CC(C)OC(c2ccsc2)C1.
What is the InChIKey of 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one?
The InChIKey is LNHPUKKGMFGHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-10(2)14(16)15(18)17-7-11(3)19-13(8-17)12-5-6-20-9-12/h5-6,9-11,13-14H,4,7-8,16H2,1-3H3.
What are the key properties of 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one?
2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 119810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).