[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone

C14H20N2O3S — CID 125135325

IUPAC[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CNCCO2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C14H20N2O3S/c1-10-7-16(14(17)12-6-15-3-4-18-12)8-13(19-10)11-2-5-20-9-11/h2,5,9-10,12-13,15H,3-4,6-8H2,1H3/t10-,12+,13-/m1/s1
InChIKeyXKMXTBFJHSQHHF-KGYLQXTDSA-N
MW296.39 g/mol
LogP1.02
Rot. Bonds2

About [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone

[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone (PubChem CID 125135325) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
PubChem CID125135325
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CNCCO2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C14H20N2O3S/c1-10-7-16(14(17)12-6-15-3-4-18-12)8-13(19-10)11-2-5-20-9-11/h2,5,9-10,12-13,15H,3-4,6-8H2,1H3/t10-,12+,13-/m1/s1
InChIKeyXKMXTBFJHSQHHF-KGYLQXTDSA-N
XLogP1.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone with MolForge

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Related Compounds

1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124694505
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120936041
(3-aminocyclopentyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 119810914
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120992573
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119738862
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
2-amino-3-methyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pentan-1-one
CID 119810944
1H-indol-7-yl-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]methanone
CID 124592372

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone?
The IUPAC name of [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone (CID 125135325) is [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone.
What is the SMILES notation for [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone?
The canonical SMILES for [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CNCCO2)C[C@H](c2ccsc2)O1.
What is the InChIKey of [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone?
The InChIKey is XKMXTBFJHSQHHF-KGYLQXTDSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-7-16(14(17)12-6-15-3-4-18-12)8-13(19-10)11-2-5-20-9-11/h2,5,9-10,12-13,15H,3-4,6-8H2,1H3/t10-,12+,13-/m1/s1.
What are the key properties of [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone?
[(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone has a molecular weight of 296.39 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2S)-morpholin-2-yl]methanone is sourced from PubChem (CID 125135325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).