1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone

C16H19N3O2S — CID 124986100

IUPAC1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCNc1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1
InChIInChI=1S/C16H19N3O2S/c1-17-15-6-2-5-13(18-15)14-11-19(7-8-21-14)16(20)10-12-4-3-9-22-12/h2-6,9,14H,7-8,10-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyNWFXYSUWBZRLME-CQSZACIVSA-N
MW317.41 g/mol
LogP2.33
Rot. Bonds4

About 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone

1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 124986100) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID124986100
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCNc1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1
InChIInChI=1S/C16H19N3O2S/c1-17-15-6-2-5-13(18-15)14-11-19(7-8-21-14)16(20)10-12-4-3-9-22-12/h2-6,9,14H,7-8,10-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyNWFXYSUWBZRLME-CQSZACIVSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682
1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 125018833
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124981363
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
CID 110112464

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone (CID 124986100) is 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone is CNc1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1.
What is the InChIKey of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is NWFXYSUWBZRLME-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-17-15-6-2-5-13(18-15)14-11-19(7-8-21-14)16(20)10-12-4-3-9-22-12/h2-6,9,14H,7-8,10-11H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 317.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 124986100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).