N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H23N3O2S — CID 135497718

IUPACN-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NC2CCCCCCC2)n1
InChIInChI=1S/C15H23N3O2S/c1-11-9-13(19)18-15(16-11)21-10-14(20)17-12-7-5-3-2-4-6-8-12/h9,12H,2-8,10H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyWYZPXGCNHAZYJE-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.40
Rot. Bonds4

About N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135497718) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135497718
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NC2CCCCCCC2)n1
InChIInChI=1S/C15H23N3O2S/c1-11-9-13(19)18-15(16-11)21-10-14(20)17-12-7-5-3-2-4-6-8-12/h9,12H,2-8,10H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyWYZPXGCNHAZYJE-UHFFFAOYSA-N
XLogP2.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135497718) is N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)NC2CCCCCCC2)n1.
What is the InChIKey of N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is WYZPXGCNHAZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-9-13(19)18-15(16-11)21-10-14(20)17-12-7-5-3-2-4-6-8-12/h9,12H,2-8,10H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135497718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).