2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine

C22H27N5O2S — CID 68728464

IUPAC2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESCNS(=O)(=O)N(C)CC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H27N5O2S/c1-23-30(28,29)26(2)16-17-10-13-27(14-11-17)22-24-12-9-21(25-22)20-8-7-18-5-3-4-6-19(18)15-20/h3-9,12,15,17,23H,10-11,13-14,16H2,1-2H3
InChIKeyPUQXVPQXUJKGJB-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine

2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine (PubChem CID 68728464) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
PubChem CID68728464
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESCNS(=O)(=O)N(C)CC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C22H27N5O2S/c1-23-30(28,29)26(2)16-17-10-13-27(14-11-17)22-24-12-9-21(25-22)20-8-7-18-5-3-4-6-19(18)15-20/h3-9,12,15,17,23H,10-11,13-14,16H2,1-2H3
InChIKeyPUQXVPQXUJKGJB-UHFFFAOYSA-N
XLogP2.91
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine (CID 68728464) is 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine is CNS(=O)(=O)N(C)CC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The InChIKey is PUQXVPQXUJKGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-23-30(28,29)26(2)16-17-10-13-27(14-11-17)22-24-12-9-21(25-22)20-8-7-18-5-3-4-6-19(18)15-20/h3-9,12,15,17,23H,10-11,13-14,16H2,1-2H3.
What are the key properties of 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine?
2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine has a molecular weight of 425.56 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 68728464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).