propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C21H35N5O6S — CID 46701216

IUPACpropan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C21H35N5O6S/c1-15(2)30-21(27)25-10-6-17(7-11-25)31-19-16(3)20(23-14-22-19)32-18-8-12-26(13-9-18)33(28,29)24(4)5/h14-15,17-18H,6-13H2,1-5H3
InChIKeySGSZBSUNWZPFKT-UHFFFAOYSA-N
MW485.61 g/mol
LogP1.82
Rot. Bonds7

About propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 46701216) has the molecular formula C21H35N5O6S and a molecular weight of 485.61 g/mol. Its IUPAC name is propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID46701216
Molecular FormulaC21H35N5O6S
Molecular Weight485.61 g/mol
Exact Mass485.23
IUPAC Namepropan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C21H35N5O6S/c1-15(2)30-21(27)25-10-6-17(7-11-25)31-19-16(3)20(23-14-22-19)32-18-8-12-26(13-9-18)33(28,29)24(4)5/h14-15,17-18H,6-13H2,1-5H3
InChIKeySGSZBSUNWZPFKT-UHFFFAOYSA-N
XLogP1.82
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 46701216) is propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is SGSZBSUNWZPFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O6S/c1-15(2)30-21(27)25-10-6-17(7-11-25)31-19-16(3)20(23-14-22-19)32-18-8-12-26(13-9-18)33(28,29)24(4)5/h14-15,17-18H,6-13H2,1-5H3.
What are the key properties of propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 485.61 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 46701216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).