1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone

C15H18N4O2S — CID 124941277

IUPAC1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)Cc2ccsc2)CCO1
InChIInChI=1S/C15H18N4O2S/c1-16-15-14(17-3-4-18-15)12-9-19(5-6-21-12)13(20)8-11-2-7-22-10-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyAMDBFZZHAGZFBO-LBPRGKRZSA-N
MW318.40 g/mol
LogP1.72
Rot. Bonds4

About 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone

1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 124941277) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID124941277
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)Cc2ccsc2)CCO1
InChIInChI=1S/C15H18N4O2S/c1-16-15-14(17-3-4-18-15)12-9-19(5-6-21-12)13(20)8-11-2-7-22-10-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyAMDBFZZHAGZFBO-LBPRGKRZSA-N
XLogP1.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112932
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 125008845
2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
2-(2-methoxyphenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112925
2-cyclopentyl-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112937
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124959140
2-(2-methoxy-5-methylphenyl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124980166
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124940115
1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 92577855
N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117117
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone (CID 124941277) is 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone is CNc1nccnc1[C@@H]1CN(C(=O)Cc2ccsc2)CCO1.
What is the InChIKey of 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is AMDBFZZHAGZFBO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-16-15-14(17-3-4-18-15)12-9-19(5-6-21-12)13(20)8-11-2-7-22-10-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 318.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 124941277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).