2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide

C11H17N3O2S — CID 9143689

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-3-8(4-2)13-10(16)7-17-11-12-6-5-9(15)14-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyAIZWWMJNGGFSDT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.17
Rot. Bonds6

About 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide (PubChem CID 9143689) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide
PubChem CID9143689
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-3-8(4-2)13-10(16)7-17-11-12-6-5-9(15)14-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyAIZWWMJNGGFSDT-UHFFFAOYSA-N
XLogP1.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide (CID 9143689) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide?
The InChIKey is AIZWWMJNGGFSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-8(4-2)13-10(16)7-17-11-12-6-5-9(15)14-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H,12,14,15).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 9143689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).