1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

C15H17N3OS — CID 124997340

IUPAC1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cncc([C@H]2CCCN2C(=O)Cc2cccs2)n1
InChIInChI=1S/C15H17N3OS/c1-11-9-16-10-13(17-11)14-5-2-6-18(14)15(19)8-12-4-3-7-20-12/h3-4,7,9-10,14H,2,5-6,8H2,1H3/t14-/m1/s1
InChIKeyQZMULDPENIVMNU-CQSZACIVSA-N
MW287.39 g/mol
LogP2.75
Rot. Bonds3

About 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 124997340) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID124997340
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cncc([C@H]2CCCN2C(=O)Cc2cccs2)n1
InChIInChI=1S/C15H17N3OS/c1-11-9-16-10-13(17-11)14-5-2-6-18(14)15(19)8-12-4-3-7-20-12/h3-4,7,9-10,14H,2,5-6,8H2,1H3/t14-/m1/s1
InChIKeyQZMULDPENIVMNU-CQSZACIVSA-N
XLogP2.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 90564177
2-(6-methyl-1-benzofuran-3-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 124957195
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 92731961
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 71928854
1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124986769
1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone
CID 124970271
1-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 95116467
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125018164
1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114137

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (CID 124997340) is 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is Cc1cncc([C@H]2CCCN2C(=O)Cc2cccs2)n1.
What is the InChIKey of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is QZMULDPENIVMNU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-9-16-10-13(17-11)14-5-2-6-18(14)15(19)8-12-4-3-7-20-12/h3-4,7,9-10,14H,2,5-6,8H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 287.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 124997340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).