1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone

C16H19N3O2S — CID 124959044

IUPAC1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC[C@H]1CCc1cnccn1
InChIInChI=1S/C16H19N3O2S/c20-16(9-13-3-8-22-12-13)19-6-7-21-11-15(19)2-1-14-10-17-4-5-18-14/h3-5,8,10,12,15H,1-2,6-7,9,11H2/t15-/m1/s1
InChIKeyGKKMHXNLDZTDTJ-OAHLLOKOSA-N
MW317.41 g/mol
LogP1.94
Rot. Bonds5

About 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone

1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 124959044) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID124959044
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC[C@H]1CCc1cnccn1
InChIInChI=1S/C16H19N3O2S/c20-16(9-13-3-8-22-12-13)19-6-7-21-11-15(19)2-1-14-10-17-4-5-18-14/h3-5,8,10,12,15H,1-2,6-7,9,11H2/t15-/m1/s1
InChIKeyGKKMHXNLDZTDTJ-OAHLLOKOSA-N
XLogP1.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124995063
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 110132191
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110132170
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124947820
1-piperidin-1-yl-2-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 124998042
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 125021467

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone (CID 124959044) is 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCOC[C@H]1CCc1cnccn1.
What is the InChIKey of 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is GKKMHXNLDZTDTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(9-13-3-8-22-12-13)19-6-7-21-11-15(19)2-1-14-10-17-4-5-18-14/h3-5,8,10,12,15H,1-2,6-7,9,11H2/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 317.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 124959044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).