N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C14H23N3OS — CID 8809855

IUPACN-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCC(C)(C)NC(=O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H23N3OS/c1-7-14(5,6)17-12(18)8-19-13-15-10(3)9(2)11(4)16-13/h7-8H2,1-6H3,(H,17,18)
InChIKeyWGLFSRZRLNZGEA-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.80
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 8809855) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID8809855
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCC(C)(C)NC(=O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H23N3OS/c1-7-14(5,6)17-12(18)8-19-13-15-10(3)9(2)11(4)16-13/h7-8H2,1-6H3,(H,17,18)
InChIKeyWGLFSRZRLNZGEA-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 8809855) is N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is CCC(C)(C)NC(=O)CSc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is WGLFSRZRLNZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-7-14(5,6)17-12(18)8-19-13-15-10(3)9(2)11(4)16-13/h7-8H2,1-6H3,(H,17,18).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 281.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8809855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).