6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine

C16H20N4O2S — CID 127246933

IUPAC6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(C2CCCN2S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C16H20N4O2S/c1-17-16-11-18-10-14(19-16)15-8-5-9-20(15)23(21,22)12-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,17,19)
InChIKeyAGPLFXUERMRCBF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.19
Rot. Bonds5

About 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine

6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine (PubChem CID 127246933) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
PubChem CID127246933
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(C2CCCN2S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C16H20N4O2S/c1-17-16-11-18-10-14(19-16)15-8-5-9-20(15)23(21,22)12-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,17,19)
InChIKeyAGPLFXUERMRCBF-UHFFFAOYSA-N
XLogP2.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
CID 95836399
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
3-(1-benzylsulfonylpyrrolidin-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 87052072
5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
CID 110257003
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836219
(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 175652538
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
4-[6-[(2R)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997798
4-[6-[(2S)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997797

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine (CID 127246933) is 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine is CNc1cncc(C2CCCN2S(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine?
The InChIKey is AGPLFXUERMRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-17-16-11-18-10-14(19-16)15-8-5-9-20(15)23(21,22)12-13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,17,19).
What are the key properties of 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine?
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine has a molecular weight of 332.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 127246933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).