N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide

C18H23N3O2S — CID 51958852

IUPACN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)CCc3ccsc3)cn2)C[C@H](C)O1
InChIInChI=1S/C18H23N3O2S/c1-13-10-21(11-14(2)23-13)17-5-4-16(9-19-17)20-18(22)6-3-15-7-8-24-12-15/h4-5,7-9,12-14H,3,6,10-11H2,1-2H3,(H,20,22)/t13-,14+
InChIKeyRQNQTTPTYXCJML-OKILXGFUSA-N
MW345.47 g/mol
LogP3.33
Rot. Bonds5

About N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide

N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide (PubChem CID 51958852) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
PubChem CID51958852
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)CCc3ccsc3)cn2)C[C@H](C)O1
InChIInChI=1S/C18H23N3O2S/c1-13-10-21(11-14(2)23-13)17-5-4-16(9-19-17)20-18(22)6-3-15-7-8-24-12-15/h4-5,7-9,12-14H,3,6,10-11H2,1-2H3,(H,20,22)/t13-,14+
InChIKeyRQNQTTPTYXCJML-OKILXGFUSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 51958873
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
CID 55960129
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(4-sulfamoylphenyl)acetamide
CID 56510821
N-[3-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 51958844
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55964414
2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 29299905
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pyrazine-2-carboxamide
CID 95149576
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
CID 98764784
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pentanamide
CID 97024201

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide (CID 51958852) is N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide is C[C@@H]1CN(c2ccc(NC(=O)CCc3ccsc3)cn2)C[C@H](C)O1.
What is the InChIKey of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide?
The InChIKey is RQNQTTPTYXCJML-OKILXGFUSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-10-21(11-14(2)23-13)17-5-4-16(9-19-17)20-18(22)6-3-15-7-8-24-12-15/h4-5,7-9,12-14H,3,6,10-11H2,1-2H3,(H,20,22)/t13-,14+.
What are the key properties of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide?
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 51958852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).