1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone

C17H21N3O2S — CID 124985758

IUPAC1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCc1nccnc1CC[C@H]1COCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-13-16(19-6-5-18-13)3-2-15-11-22-8-7-20(15)17(21)10-14-4-9-23-12-14/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyNTZXSUPAGJHQSU-HNNXBMFYSA-N
MW331.44 g/mol
LogP2.25
Rot. Bonds5

About 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone

1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 124985758) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID124985758
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCc1nccnc1CC[C@H]1COCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-13-16(19-6-5-18-13)3-2-15-11-22-8-7-20(15)17(21)10-14-4-9-23-12-14/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3/t15-/m0/s1
InChIKeyNTZXSUPAGJHQSU-HNNXBMFYSA-N
XLogP2.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone (CID 124985758) is 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone is Cc1nccnc1CC[C@H]1COCCN1C(=O)Cc1ccsc1.
What is the InChIKey of 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is NTZXSUPAGJHQSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-16(19-6-5-18-13)3-2-15-11-22-8-7-20(15)17(21)10-14-4-9-23-12-14/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 331.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 124985758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).