1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C15H22N4OS — CID 124956770

IUPAC1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cncc(CN2CCSCC2)n1
InChIInChI=1S/C15H22N4OS/c1-12(20)19-4-2-3-15(19)14-10-16-9-13(17-14)11-18-5-7-21-8-6-18/h9-10,15H,2-8,11H2,1H3/t15-/m0/s1
InChIKeyFUBSSNRKOFDZJR-HNNXBMFYSA-N
MW306.44 g/mol
LogP1.71
Rot. Bonds3

About 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124956770) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID124956770
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cncc(CN2CCSCC2)n1
InChIInChI=1S/C15H22N4OS/c1-12(20)19-4-2-3-15(19)14-10-16-9-13(17-14)11-18-5-7-21-8-6-18/h9-10,15H,2-8,11H2,1H3/t15-/m0/s1
InChIKeyFUBSSNRKOFDZJR-HNNXBMFYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
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CID 110268251
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 124998084
1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267974
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
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1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
1-[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
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N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide
CID 124981869
N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
CID 110094688
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 124956770) is 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1c1cncc(CN2CCSCC2)n1.
What is the InChIKey of 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is FUBSSNRKOFDZJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12(20)19-4-2-3-15(19)14-10-16-9-13(17-14)11-18-5-7-21-8-6-18/h9-10,15H,2-8,11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 306.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124956770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).