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

C14H16N4O2S — CID 125008845

IUPAC[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)c2ccsc2)CCO1
InChIInChI=1S/C14H16N4O2S/c1-15-13-12(16-3-4-17-13)11-8-18(5-6-20-11)14(19)10-2-7-21-9-10/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyUYBQJXBYABFMOU-NSHDSACASA-N
MW304.38 g/mol
LogP1.79
Rot. Bonds3

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

[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone (PubChem CID 125008845) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
PubChem CID125008845
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)c2ccsc2)CCO1
InChIInChI=1S/C14H16N4O2S/c1-15-13-12(16-3-4-17-13)11-8-18(5-6-20-11)14(19)10-2-7-21-9-10/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyUYBQJXBYABFMOU-NSHDSACASA-N
XLogP1.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124941277
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124983075
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
CID 125018611
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124947338
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124948136
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 125012972
(5-fluoro-2-methoxyphenyl)-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124941841
2-cyclopentyl-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112937
2-(4-fluorophenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112932
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
2-(2-methoxyphenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112925

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone (CID 125008845) is [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone is CNc1nccnc1[C@@H]1CN(C(=O)c2ccsc2)CCO1.
What is the InChIKey of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is UYBQJXBYABFMOU-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-15-13-12(16-3-4-17-13)11-8-18(5-6-20-11)14(19)10-2-7-21-9-10/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 304.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 125008845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).