5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide

C12H20N4O3S — CID 20629237

IUPAC5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C12H20N4O3S/c1-10(2)20(18,19)15-9-4-3-6-11(17)16-12-13-7-5-8-14-12/h5,7-8,10,15H,3-4,6,9H2,1-2H3,(H,13,14,16,17)
InChIKeyYUIJIMXETHZCQX-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.91
Rot. Bonds8

About 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide

5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide (PubChem CID 20629237) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide.

Molecular Properties

Compound Name5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide
PubChem CID20629237
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C12H20N4O3S/c1-10(2)20(18,19)15-9-4-3-6-11(17)16-12-13-7-5-8-14-12/h5,7-8,10,15H,3-4,6,9H2,1-2H3,(H,13,14,16,17)
InChIKeyYUIJIMXETHZCQX-UHFFFAOYSA-N
XLogP0.91
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide?
The IUPAC name of 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide (CID 20629237) is 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide.
What is the SMILES notation for 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide?
The canonical SMILES for 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide is CC(C)S(=O)(=O)NCCCCC(=O)Nc1ncccn1.
What is the InChIKey of 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide?
The InChIKey is YUIJIMXETHZCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-10(2)20(18,19)15-9-4-3-6-11(17)16-12-13-7-5-8-14-12/h5,7-8,10,15H,3-4,6,9H2,1-2H3,(H,13,14,16,17).
What are the key properties of 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide?
5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide has a molecular weight of 300.38 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide is sourced from PubChem (CID 20629237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).