N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine

C18H24N4O2S — CID 22135721

IUPACN-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
SMILESO=S(=O)(CCc1ccccc1)C(Nc1cnccn1)C1CCNCC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,13-8-15-4-2-1-3-5-15)18(16-6-9-19-10-7-16)22-17-14-20-11-12-21-17/h1-5,11-12,14,16,18-19H,6-10,13H2,(H,21,22)
InChIKeyQAKFAFCFUVUQOG-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.87
Rot. Bonds7

About N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine

N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine (PubChem CID 22135721) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
PubChem CID22135721
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
SMILESO=S(=O)(CCc1ccccc1)C(Nc1cnccn1)C1CCNCC1
InChIInChI=1S/C18H24N4O2S/c23-25(24,13-8-15-4-2-1-3-5-15)18(16-6-9-19-10-7-16)22-17-14-20-11-12-21-17/h1-5,11-12,14,16,18-19H,6-10,13H2,(H,21,22)
InChIKeyQAKFAFCFUVUQOG-UHFFFAOYSA-N
XLogP1.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine (CID 22135721) is N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine is O=S(=O)(CCc1ccccc1)C(Nc1cnccn1)C1CCNCC1.
What is the InChIKey of N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
The InChIKey is QAKFAFCFUVUQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-25(24,13-8-15-4-2-1-3-5-15)18(16-6-9-19-10-7-16)22-17-14-20-11-12-21-17/h1-5,11-12,14,16,18-19H,6-10,13H2,(H,21,22).
What are the key properties of N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine has a molecular weight of 360.48 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 22135721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).