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

C19H26N4O2S — CID 22135575

IUPAC3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
SMILESCc1nccnc1NC(C1CCNCC1)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C19H26N4O2S/c1-15-18(22-13-12-21-15)23-19(17-7-10-20-11-8-17)26(24,25)14-9-16-5-3-2-4-6-16/h2-6,12-13,17,19-20H,7-11,14H2,1H3,(H,22,23)
InChIKeyMNPHWJQUVFQLAY-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.18
Rot. Bonds7

About 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine

3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine (PubChem CID 22135575) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
PubChem CID22135575
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine
SMILESCc1nccnc1NC(C1CCNCC1)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C19H26N4O2S/c1-15-18(22-13-12-21-15)23-19(17-7-10-20-11-8-17)26(24,25)14-9-16-5-3-2-4-6-16/h2-6,12-13,17,19-20H,7-11,14H2,1H3,(H,22,23)
InChIKeyMNPHWJQUVFQLAY-UHFFFAOYSA-N
XLogP2.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine (CID 22135575) is 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine is Cc1nccnc1NC(C1CCNCC1)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
The InChIKey is MNPHWJQUVFQLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15-18(22-13-12-21-15)23-19(17-7-10-20-11-8-17)26(24,25)14-9-16-5-3-2-4-6-16/h2-6,12-13,17,19-20H,7-11,14H2,1H3,(H,22,23).
What are the key properties of 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine?
3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine has a molecular weight of 374.51 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-phenylethylsulfonyl(piperidin-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 22135575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).