N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide

C15H24N4O3S — CID 56801215

IUPACN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCCN2S(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C15H24N4O3S/c1-10(2)14-16-11(3)9-13(17-14)18-15(20)12-7-5-6-8-19(12)23(4,21)22/h9-10,12H,5-8H2,1-4H3,(H,16,17,18,20)
InChIKeyVXCNDPXOBSYFNT-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.66
Rot. Bonds4

About N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide

N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 56801215) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID56801215
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCCN2S(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C15H24N4O3S/c1-10(2)14-16-11(3)9-13(17-14)18-15(20)12-7-5-6-8-19(12)23(4,21)22/h9-10,12H,5-8H2,1-4H3,(H,16,17,18,20)
InChIKeyVXCNDPXOBSYFNT-UHFFFAOYSA-N
XLogP1.66
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide (CID 56801215) is N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide is Cc1cc(NC(=O)C2CCCCN2S(C)(=O)=O)nc(C(C)C)n1.
What is the InChIKey of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is VXCNDPXOBSYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-10(2)14-16-11(3)9-13(17-14)18-15(20)12-7-5-6-8-19(12)23(4,21)22/h9-10,12H,5-8H2,1-4H3,(H,16,17,18,20).
What are the key properties of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide?
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 56801215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).