(3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

C17H19BrN4O5S — CID 39033321

About (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

(3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 39033321) has the molecular formula C17H19BrN4O5S and a molecular weight of 471.33 g/mol. Its IUPAC name is (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
• PubChem CID: 39033321
• Molecular Formula: C17H19BrN4O5S
• Molecular Weight: 471.33 g/mol
• Exact Mass: 470.03
• IUPAC Name: (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
• SMILES: Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1
• InChI: InChI=1S/C17H19BrN4O5S/c1-10-14(16(24)21-17(25)19-10)28(26,27)22-7-3-4-11(9-22)15(23)20-13-6-2-5-12(18)8-13/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,20,23)(H2,19,21,24,25)/t11-/m1/s1
• InChIKey: LLFNEKSCPQQXJZ-LLVKDONJSA-N
• XLogP: 1.17
• TPSA: 132.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.33
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (CID 39033321) is (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1.

What is the InChIKey of (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?

The InChIKey is LLFNEKSCPQQXJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19BrN4O5S/c1-10-14(16(24)21-17(25)19-10)28(26,27)22-7-3-4-11(9-22)15(23)20-13-6-2-5-12(18)8-13/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,20,23)(H2,19,21,24,25)/t11-/m1/s1.

What are the key properties of (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?

(3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 471.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3-bromophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 39033321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).