2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone

C12H18N2O2S — CID 124686454

IUPAC2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
SMILESCNCC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1
InChIInChI=1S/C12H18N2O2S/c1-9-6-14(12(15)5-13-2)7-11(16-9)10-3-4-17-8-10/h3-4,8-9,11,13H,5-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyLIGSAFKUJKEOGL-KOLCDFICSA-N
MW254.35 g/mol
LogP1.26
Rot. Bonds3

About 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone

2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone (PubChem CID 124686454) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
PubChem CID124686454
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
SMILESCNCC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1
InChIInChI=1S/C12H18N2O2S/c1-9-6-14(12(15)5-13-2)7-11(16-9)10-3-4-17-8-10/h3-4,8-9,11,13H,5-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyLIGSAFKUJKEOGL-KOLCDFICSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
CID 119810944
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 99702636
N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919520
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
(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
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97060192
(2S,6R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97320853

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone (CID 124686454) is 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone is CNCC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1.
What is the InChIKey of 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone?
The InChIKey is LIGSAFKUJKEOGL-KOLCDFICSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-6-14(12(15)5-13-2)7-11(16-9)10-3-4-17-8-10/h3-4,8-9,11,13H,5-7H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone?
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone has a molecular weight of 254.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone is sourced from PubChem (CID 124686454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).