2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine

C15H19N3S — CID 124965345

IUPAC2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
SMILESCc1ccc(CN2CCC[C@H](c3cnccn3)C2)s1
InChIInChI=1S/C15H19N3S/c1-12-4-5-14(19-12)11-18-8-2-3-13(10-18)15-9-16-6-7-17-15/h4-7,9,13H,2-3,8,10-11H2,1H3/t13-/m0/s1
InChIKeyIEEKJXFVDBCRPK-ZDUSSCGKSA-N
MW273.40 g/mol
LogP3.23
Rot. Bonds3

About 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine

2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine (PubChem CID 124965345) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
PubChem CID124965345
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
SMILESCc1ccc(CN2CCC[C@H](c3cnccn3)C2)s1
InChIInChI=1S/C15H19N3S/c1-12-4-5-14(19-12)11-18-8-2-3-13(10-18)15-9-16-6-7-17-15/h4-7,9,13H,2-3,8,10-11H2,1H3/t13-/m0/s1
InChIKeyIEEKJXFVDBCRPK-ZDUSSCGKSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
CID 95833193
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 110226287
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
[(4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 98895919
(2R)-4-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-ylmorpholine
CID 125003279
[(3aS,7aR)-2-[(5-methylthiophen-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 124816905

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine (CID 124965345) is 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine is Cc1ccc(CN2CCC[C@H](c3cnccn3)C2)s1.
What is the InChIKey of 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is IEEKJXFVDBCRPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-4-5-14(19-12)11-18-8-2-3-13(10-18)15-9-16-6-7-17-15/h4-7,9,13H,2-3,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine?
2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 273.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 124965345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).