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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Related Compounds

2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 25217829
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate
CID 87560832
N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
CID 91343706
2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
[(1R)-1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamic acid
CID 69082107
methyl-[2-[methyl-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]amino]ethyl]carbamic acid
CID 68728830
N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
CID 69082132
1-N,2-N-dimethyl-1-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-phenylpropane-1,2-diamine
CID 173137660

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).