6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine

C18H18N6O2S — CID 95836219

IUPAC6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1c1cncc(Nc2cnccn2)n1
InChIInChI=1S/C18H18N6O2S/c25-27(26,14-5-2-1-3-6-14)24-10-4-7-16(24)15-11-20-13-18(22-15)23-17-12-19-8-9-21-17/h1-3,5-6,8-9,11-13,16H,4,7,10H2,(H,21,22,23)/t16-/m0/s1
InChIKeyKSHKTXYRDZUJRN-INIZCTEOSA-N
MW382.45 g/mol
LogP2.54
Rot. Bonds5

About 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine

6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine (PubChem CID 95836219) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
PubChem CID95836219
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1c1cncc(Nc2cnccn2)n1
InChIInChI=1S/C18H18N6O2S/c25-27(26,14-5-2-1-3-6-14)24-10-4-7-16(24)15-11-20-13-18(22-15)23-17-12-19-8-9-21-17/h1-3,5-6,8-9,11-13,16H,4,7,10H2,(H,21,22,23)/t16-/m0/s1
InChIKeyKSHKTXYRDZUJRN-INIZCTEOSA-N
XLogP2.54
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
CID 95836399
6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836266
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110265405
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110113647
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
N-pyrazin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 110094062
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
CID 127246933
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine (CID 95836219) is 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine is O=S(=O)(c1ccccc1)N1CCC[C@H]1c1cncc(Nc2cnccn2)n1.
What is the InChIKey of 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The InChIKey is KSHKTXYRDZUJRN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N6O2S/c25-27(26,14-5-2-1-3-6-14)24-10-4-7-16(24)15-11-20-13-18(22-15)23-17-12-19-8-9-21-17/h1-3,5-6,8-9,11-13,16H,4,7,10H2,(H,21,22,23)/t16-/m0/s1.
What are the key properties of 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine?
6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine has a molecular weight of 382.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95836219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).