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

C15H23N3OS — CID 2083398

IUPACN-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)nc(C)c1C
InChIInChI=1S/C15H23N3OS/c1-10-11(2)16-15(17-12(10)3)20-9-14(19)18-13-7-5-4-6-8-13/h13H,4-9H2,1-3H3,(H,18,19)
InChIKeyZTUIXKNEPCWBEX-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.94
Rot. Bonds4

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

N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2083398) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2083398
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC2CCCCC2)nc(C)c1C
InChIInChI=1S/C15H23N3OS/c1-10-11(2)16-15(17-12(10)3)20-9-14(19)18-13-7-5-4-6-8-13/h13H,4-9H2,1-3H3,(H,18,19)
InChIKeyZTUIXKNEPCWBEX-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2083398) is N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC2CCCCC2)nc(C)c1C.
What is the InChIKey of N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is ZTUIXKNEPCWBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-11(2)16-15(17-12(10)3)20-9-14(19)18-13-7-5-4-6-8-13/h13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 293.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2083398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).