[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone

C16H19N3O2S — CID 124970486

IUPAC[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccsc1
InChIInChI=1S/C16H19N3O2S/c1-12-15(18-6-5-17-12)3-2-14-10-21-8-7-19(14)16(20)13-4-9-22-11-13/h4-6,9,11,14H,2-3,7-8,10H2,1H3/t14-/m1/s1
InChIKeyJQJMTJZAXLUXIA-CQSZACIVSA-N
MW317.41 g/mol
LogP2.32
Rot. Bonds4

About [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone

[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone (PubChem CID 124970486) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
PubChem CID124970486
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccsc1
InChIInChI=1S/C16H19N3O2S/c1-12-15(18-6-5-17-12)3-2-14-10-21-8-7-19(14)16(20)13-4-9-22-11-13/h4-6,9,11,14H,2-3,7-8,10H2,1H3/t14-/m1/s1
InChIKeyJQJMTJZAXLUXIA-CQSZACIVSA-N
XLogP2.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
2H-benzotriazol-5-yl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132334
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
CID 124976639
[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124956604
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124995035
(1-ethyl-3-methylpyrazol-4-yl)-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124957997
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132338
(1-ethyl-5-methylpyrazol-3-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132349
2-cyclopentyl-1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124945965
N-[2-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 125002656
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone (CID 124970486) is [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone is Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccsc1.
What is the InChIKey of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is JQJMTJZAXLUXIA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-15(18-6-5-17-12)3-2-14-10-21-8-7-19(14)16(20)13-4-9-22-11-13/h4-6,9,11,14H,2-3,7-8,10H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone?
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 124970486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).